UCSF

ZINC48288293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 30 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) 2.20 8.79 -25.1 0 6 0 57 440.491 6
Mid Mid (pH 6-8) 2.20 11 -56.39 1 6 1 58 441.499 6

Activity (Go SEA)

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