UCSF

ZINC65498757

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: 1-[2-methyl-4-[2-(2-pyridylsulfanyl)ethylamino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanon 1-[2-methyl-4-[2-(2-pyridylsulfa…

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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) 1.40 8.24 -39.68 2 6 1 72 358.491 5 ↓
Mid Mid (pH 6-8) 1.40 7.8 -13 1 6 0 71 357.483 5 ↓

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

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