UCSF

ZINC38577791

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 No

Popular Name: (4S,7aR)-6-amino-3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-(2-nitrophenyl)-4,7a-dihydropy (4S,7aR)-6-amino-3-[(3-cyano-4,6…

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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) 3.15 4.49 -18.02 2 10 0 166 459.491 5 ↓
Lo Low (pH 4.5-6) 3.15 4.86 -60.47 3 10 1 168 460.499 5 ↓

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

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