UCSF

ZINC12766945

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 31 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) 3.59 8.85 -45.66 3 7 1 79 465.405 6
Mid Mid (pH 6-8) 3.59 6.38 -12.94 2 7 0 78 464.397 6

Activity (Go SEA)

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