UCSF

ZINC53691425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 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) 3.50 10.05 -42.77 2 4 1 46 291.463 6
Mid Mid (pH 6-8) 3.50 10.44 -79.97 3 4 2 47 292.471 6

Activity (Go SEA)

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