UCSF

ZINC40877639

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 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) 3.58 6.79 -8.81 1 3 0 36 258.365 5
Mid Mid (pH 6-8) 3.58 7.18 -23.09 2 3 1 38 259.373 5

Activity (Go SEA)

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