UCSF

ZINC32883866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 0.79 0.59 -14.47 4 7 0 100 291.355 4
Mid Mid (pH 6-8) 0.79 0.89 -42.54 5 7 1 102 292.363 4

Activity (Go SEA)

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