UCSF

ZINC34930117

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 5.68 13.02 -11.35 1 4 0 45 434.754 6
Lo Low (pH 4.5-6) 5.68 13.38 -42.16 2 4 1 46 435.762 6

Activity (Go SEA)

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