UCSF

ZINC59416116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 36 No

Popular Name: (5S,6R)-3-[(3-amino-4-pyridyl)sulfanyl]-6-[1-methyl-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-ox (5S,6R)-3-[(3-amino-4-pyridyl)su…

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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) 2.21 7.29 -62.71 2 12 -1 181 513.508 10 ↓
Lo Low (pH 4.5-6) 2.21 7.74 -76.62 3 12 0 182 514.516 10 ↓

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

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