UCSF

ZINC06794817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 25 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) 3.61 10.02 -48.21 2 5 0 71 358.825 6
Mid Mid (pH 6-8) 3.61 8.65 -52.22 1 5 -1 66 357.817 6

Activity (Go SEA)

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