UCSF

ZINC40954243

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 14 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) 2.61 5.65 -41.66 3 3 1 54 202.318 8
Mid Mid (pH 6-8) 2.61 5.38 -2.96 2 3 0 52 201.31 8

Activity (Go SEA)

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