UCSF

ZINC34963079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 0.25 5.9 -33.29 2 4 0 60 248.326 5
Mid Mid (pH 6-8) 0.25 8.13 -88.83 3 4 1 61 249.334 5

Activity (Go SEA)

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