UCSF

ZINC32191572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 12 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) 2.96 6.86 -3.08 0 1 0 3 167.227 3
Mid Mid (pH 6-8) 2.96 6.95 -22.45 1 1 0 4 168.235 3

Activity (Go SEA)

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