UCSF

ZINC59868453

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 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) -1.08 2.67 -16.41 3 5 0 81 248.282 4
Mid Mid (pH 6-8) -1.08 2.99 -51.15 4 5 1 83 249.29 4

Activity (Go SEA)

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