UCSF

ZINC32116021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 0.63 2.95 -110.84 4 5 2 60 270.373 8
Mid Mid (pH 6-8) 0.63 1.58 -36.37 3 5 1 55 269.365 8

Activity (Go SEA)

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