UCSF

ZINC32188683

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.12 0.68 -14.44 2 3 0 49 187.145 1
Mid Mid (pH 6-8) 1.12 1.4 -54.77 1 3 -1 52 186.137 1

Activity (Go SEA)

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