UCSF

ZINC23038708

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 28 Yes

Popular Name: 3-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiop 3-[[2-[(2-bromophenyl)amino]-2-o…

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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) 3.47 9.96 -52.35 3 6 1 86 462.393 7 ↓
Hi High (pH 8-9.5) 3.47 7.63 -13.21 2 6 0 85 461.385 7 ↓

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