UCSF

ZINC56870809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 31 Yes

Popular Name: sisomicin sulfate sisomicin sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32385-11-8 , 53179-09-2 , 53179-09-2, 32385-11-8 [s , 53179-09-2, 32385-11-8 [sisomicin]

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) -4.69 -9.69 -283.23 16 12 4 223 451.565 6 ↓
Hi High (pH 8-9.5) -4.69 -12.06 -7.08 12 12 0 214 447.533 6 ↓
Hi High (pH 8-9.5) -4.69 -11.7 -47.29 13 12 1 215 448.541 6 ↓
Hi High (pH 8-9.5) -4.69 -12.17 -42.87 13 12 1 215 448.541 6 ↓
Mid Mid (pH 6-8) -4.69 -9.85 -398.46 17 12 5 225 452.573 6 ↓
Mid Mid (pH 6-8) -4.69 -10.25 -285.53 16 12 4 223 451.565 6 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AAC6C_SERMA; AACC3_PSEAI; AADB1_KLEPN; AADB2_KLEPN; RMTB_SERMA; SGM_MICZI ChEBI
Therapy antibacterial, binds to ribosomes SMDC MicroSource
Patent Database Links EP1967186; WO2007113841 ChEBI

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Rings

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

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