UCSF

ZINC32155537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 13 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) 2.30 8.44 -34.74 1 1 1 4 174.267 3
Mid Mid (pH 6-8) 2.30 6.07 -3.65 0 1 0 3 173.259 3

Activity (Go SEA)

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