UCSF

ZINC53312668

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 36 No

Popular Name: (4aR,5S)-3-[(E)-(4-nitrophenyl)methyleneamino]-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahyd (4aR,5S)-3-[(E)-(4-nitrophenyl)m…

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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) 3.84 15.41 -43.98 1 9 1 110 485.568 5 ↓
Hi High (pH 8-9.5) 3.84 15.37 -11.91 0 9 0 109 484.56 5 ↓

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

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