UCSF

ZINC32130838

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 2.44 4.02 -7.84 1 4 0 42 285.343 5
Mid Mid (pH 6-8) 2.44 6.49 -42.23 2 4 1 43 286.351 5

Activity (Go SEA)

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