UCSF

ZINC59949388

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 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) 0.35 9.8 -117.96 1 6 -2 109 339.347 7
Lo Low (pH 4.5-6) 0.35 7.79 -48.04 2 6 -1 107 340.355 7
Lo Low (pH 4.5-6) 0.35 7.82 -57.57 2 6 -1 107 340.355 7

Activity (Go SEA)

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