UCSF

ZINC43973163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.73 8.58 -29.22 2 3 1 26 293.475 9
Mid Mid (pH 6-8) 3.73 8.45 -105.1 3 3 2 30 294.483 9

Activity (Go SEA)

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