UCSF

ZINC08784627

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 30 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) 4.54 8.79 -22.68 2 7 0 101 461.638 5
Mid Mid (pH 6-8) 4.99 7.41 -54.39 1 7 -1 104 460.63 5

Activity (Go SEA)

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