UCSF

ZINC36156741

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 Yes

Popular Name: [(2S)-3-[cyclohexyl-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl]amino]- [(2S)-3-[cyclohexyl-[(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) 4.08 10.6 -55.93 3 7 1 97 462.636 10 ↓
Hi High (pH 8-9.5) 4.54 8.14 -53.13 2 7 0 100 461.628 10 ↓
Hi High (pH 8-9.5) 4.08 8.69 -15.9 2 7 0 96 461.628 10 ↓

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