UCSF

ZINC05262297

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 20 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) 4.16 6.66 -9.56 1 3 0 46 293.363 4
Mid Mid (pH 6-8) 4.16 6.72 -46.54 0 3 -1 48 292.355 4

Activity (Go SEA)

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