UCSF

ZINC36156732

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 Yes

Popular Name: [(2S)-3-[cyclopropyl-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl]amino] [(2S)-3-[cyclopropyl-[(4-oxo-5,6…

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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) 2.54 9.71 -52.7 3 7 1 97 420.555 10 ↓
Hi High (pH 8-9.5) 3.00 6.79 -52.18 2 7 0 100 419.547 10 ↓
Hi High (pH 8-9.5) 2.54 7.53 -15.14 2 7 0 96 419.547 10 ↓

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