UCSF

ZINC65528178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 Yes

Popular Name: 2-[(2,6-dichlorophenyl)methyl]-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one 2-[(2,6-dichlorophenyl)methyl]-3…

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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) 2.83 6.72 -47 3 4 1 62 325.219 2 ↓
Mid Mid (pH 6-8) 3.28 4.46 -62.27 2 4 0 65 324.211 2 ↓

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

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