UCSF

ZINC43434927

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.11 3.01 -40.04 3 6 1 82 292.396 13
Mid Mid (pH 6-8) 1.11 1.98 -10.12 2 6 0 77 291.388 13

Activity (Go SEA)

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