UCSF

ZINC32161197

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 11 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) 1.60 4.22 -37.01 2 3 1 43 160.237 5
Mid Mid (pH 6-8) 1.60 2.92 -5.94 1 3 0 38 159.229 5

Activity (Go SEA)

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