UCSF

ZINC52271456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.91 1.25 -37.37 4 3 1 57 194.254 3
Hi High (pH 8-9.5) 1.91 2 -33.55 3 3 0 60 193.246 3

Activity (Go SEA)

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