UCSF

ZINC07053127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 3.76 5.94 -11.74 1 3 0 46 297.326 3
Mid Mid (pH 6-8) 3.76 6.15 -54.7 0 3 -1 48 296.318 3

Activity (Go SEA)

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