UCSF

ZINC34667955

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 2.67 4.94 -13.72 2 8 0 87 442.56 9
Mid Mid (pH 6-8) 2.67 5.23 -38.23 3 8 1 88 443.568 9
Mid Mid (pH 6-8) 2.67 7.14 -47.9 3 8 1 88 443.568 9
Lo Low (pH 4.5-6) 2.67 7.47 -104.68 4 8 2 90 444.576 9

Activity (Go SEA)

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