UCSF

ZINC32134505

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) 0.54 0.95 -54.6 2 4 -1 79 151.145 1
Mid Mid (pH 6-8) 0.54 1.41 -34.15 3 4 0 80 152.153 1

Activity (Go SEA)

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