UCSF

ZINC32012793

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 0.66 2.05 -35.09 3 3 1 46 214.26 6
Hi High (pH 8-9.5) 0.66 0.55 -5.98 2 3 0 41 213.252 6

Activity (Go SEA)

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