UCSF

ZINC06239955

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 25 No

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) 2.25 3.71 -58.14 1 6 -1 88 338.339 5
Mid Mid (pH 6-8) 2.69 3.17 -17.9 2 6 0 85 339.347 4
Mid Mid (pH 6-8) 1.66 4.44 -20.84 1 6 0 82 339.347 5

Activity (Go SEA)

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