UCSF

ZINC42616150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 16 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) 1.60 3.25 -34.16 3 3 1 40 229.388 8
Mid Mid (pH 6-8) 1.60 4.68 -27.65 3 3 1 40 229.388 8

Activity (Go SEA)

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