UCSF

ZINC34672197

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.80 10.79 -47.83 0 5 -1 67 339.346 6
Lo Low (pH 4.5-6) 3.80 10.84 -50.36 1 5 0 68 340.354 6

Activity (Go SEA)

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