UCSF

ZINC36876304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.73 2.54 -51.7 4 5 1 75 248.306 5
Mid Mid (pH 6-8) 0.73 2.65 -108.46 5 5 2 76 249.314 5

Activity (Go SEA)

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