UCSF

ZINC53312683

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 35 No

Popular Name: N-[(4aS,5S)-4-cyano-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-y N-[(4aS,5S)-4-cyano-1-oxo-2-phen…

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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) 4.71 10.46 -46.9 2 8 1 101 472.569 3 ↓
Hi High (pH 8-9.5) 4.71 10.7 -56.34 0 8 -1 103 470.553 3 ↓
Mid Mid (pH 6-8) 4.71 9.7 -15.33 1 8 0 100 471.561 3 ↓

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

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