UCSF

ZINC19480552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 2.52 3.94 -49.15 3 3 1 40 273.347 7
Mid Mid (pH 6-8) 2.52 5.85 -118.64 4 3 2 41 274.355 7

Activity (Go SEA)

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