UCSF

ZINC59415994

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 23 Yes

Popular Name: (5R,6R)-3-[(3-amino-4-pyridyl)sulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2 (5R,6R)-3-[(3-amino-4-pyridyl)su…

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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) 0.19 -0.39 -68.7 3 7 -1 120 334.377 4 ↓
Lo Low (pH 4.5-6) 0.19 0.06 -81.3 4 7 0 121 335.385 4 ↓

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Rings

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

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