UCSF

ZINC20473584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 1.95 5.1 -60.77 4 3 1 60 277.294 5
Mid Mid (pH 6-8) 1.95 3.67 -14.62 3 3 0 55 276.286 5

Activity (Go SEA)

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