UCSF

ZINC31891122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 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) 2.23 6.96 -30.98 4 3 1 56 188.254 1
Hi High (pH 8-9.5) 2.23 6.46 -7.03 3 3 0 55 187.246 1
Hi High (pH 8-9.5) 2.23 6.51 -9.28 3 3 0 55 187.246 1

Activity (Go SEA)

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