UCSF

ZINC71928291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2012 42 No

Popular Name: neomycin sulfate neomycin sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119-04-0 , 1404-04-2 , 1405-10-3 , 1405-10-3, 1404-04-2 [neo , 1405-10-3, 1404-04-2 [neomycin] , 28002-70-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -6.11 -24.77 -306.19 23 19 4 360 618.682 9 ↓
Hi High (pH 8-9.5) -6.11 -25.55 -104.45 21 19 2 356 616.666 9 ↓
Hi High (pH 8-9.5) -6.11 -25.23 -202.53 22 19 3 358 617.674 9 ↓
Mid Mid (pH 6-8) -6.11 -24.3 -391.84 24 19 5 361 619.69 9 ↓
Mid Mid (pH 6-8) -6.11 -23.91 -536.85 25 19 6 363 620.698 9 ↓
Mid Mid (pH 6-8) -6.11 -24.38 -434.75 24 19 5 361 619.69 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.47e+01 g/l DrugBank-approved
UniProt Database Links AAC31_SALSP; AAC32_SALSP; AAC3_SERMA; AACC2_ACIBA; AACC3_ENTCL; AACC3_PSEAI; AACC4_SALSP; AACC8_STRFR; AACC9_MICCH; AADB2_KLEPN; DOIAD_STRFR; DOIS_STRFR; EF3A_YEAST; GLDSA_STRFR; KKA1_ECOLX; KKA1_SALTM; KKA2_KLEPN; KKA3_ENTFL; KKA3_STAAU; KKA4_BACCI; KKA5 ChEBI
Therapy antibacterial SMDC MicroSource
Indications antibiotic KeyOrganics Bioactives

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.