UCSF

ZINC08214483

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 40 No

Popular Name: Amikacin Amikacin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37517-28-5 , 39831-55-5

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) -5.97 -22.77 -292.18 21 18 4 338 589.64 10 ↓
Hi High (pH 8-9.5) -5.97 -23.91 -124.54 19 18 2 335 587.624 10 ↓
Hi High (pH 8-9.5) -5.97 -24.28 -67.86 18 18 1 334 586.616 10 ↓
Mid Mid (pH 6-8) -5.97 -23.18 -223.21 20 18 3 337 588.632 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.97e+01 g/l DrugBank-approved
UniProt Database Links AAC6C_SERMA; AAC6_ACIBA; AAC6_ACIG1; AAC6_ACIHA; AAC6_CITKO; AAC6_ENTAE; AAC6_KLEPN; AAC6_MORMO; AAC6_SALEN; AAC6_SERMA; AAC6_STEMA; KKA1_ECOLX; KKA1_SALTM; KKA3_ENTFL; KKA3_STAAU; KKA4_BACCI; KKA5_STRFR; KKA6_ACIBA; KKA7_CAMJU; KKA8_ECOLX; KKA9_STRRI; RM ChEBI
Indications Antibiotic KeyOrganics Bioactives
Patent Database Links EP1452533; EP1537861; EP1588702; EP1598059; EP1754712; EP1839648; EP1847256; EP1884520; EP1894559; EP1908754; EP1938822; EP1990639; EP1994930; US2003105066; US2005085413; US2007185040; US2007196461; US2007202051; US2007202077; US2007231406; US2007237826 ChEBI

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