UCSF

ZINC45624207

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.48 6.96 -44.04 3 4 1 51 339.257 3
Mid Mid (pH 6-8) 1.48 4.71 -8.98 2 4 0 50 338.249 3

Activity (Go SEA)

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