UCSF

ZINC19265235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 1.25 6.18 -101.08 4 3 2 47 197.326 5
Mid Mid (pH 6-8) 1.25 5.74 -50.92 3 3 1 45 196.318 5

Activity (Go SEA)

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