UCSF

ZINC06893615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 24 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) 1.96 5.64 -49.66 2 7 1 84 356.468 5
Mid Mid (pH 6-8) 1.96 3.49 -12.71 1 7 0 83 355.46 5

Activity (Go SEA)

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