UCSF

ZINC58357061

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 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) 3.44 10.91 -49.8 1 4 1 38 337.443 3
Mid Mid (pH 6-8) 3.44 8.77 -13.65 0 4 0 37 336.435 3

Activity (Go SEA)

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