UCSF

ZINC00571916

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 0.84 3.27 -48.97 0 5 -1 69 269.346 5
Mid Mid (pH 6-8) 0.84 3.28 -15.1 1 5 0 66 270.354 5

Activity (Go SEA)

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