UCSF

ZINC41256328

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 17 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) 2.01 7.88 -35.3 2 3 1 39 231.319 3
Mid Mid (pH 6-8) 2.01 7.38 -8.89 1 3 0 38 230.311 3

Activity (Go SEA)

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