UCSF

ZINC01131895

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 32 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.79 -7.6 -15.65 2 8 0 110 517.412 8
Hi High (pH 8-9.5) 4.79 -6.47 -100.43 0 8 -2 114 515.396 8
Hi High (pH 8-9.5) 4.79 -7.02 -44.53 1 8 -1 112 516.404 8
Hi High (pH 8-9.5) 4.79 -7.05 -50.11 1 8 -1 112 516.404 8

Activity (Go SEA)

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