UCSF

ZINC32784191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 18 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) 0.59 4.62 -10.2 0 4 0 36 245.326 3
Mid Mid (pH 6-8) 0.59 6.91 -48.71 1 4 1 38 246.334 3

Activity (Go SEA)

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