UCSF

ZINC05263210

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 22 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) 1.74 8.41 -12.91 0 7 0 71 300.318 4
Mid Mid (pH 6-8) 1.74 8.89 -52.11 1 7 1 72 301.326 4

Activity (Go SEA)

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