UCSF

ZINC06484298

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 30 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) 6.37 15.59 -6.85 3 7 0 84 410.566 8
Mid Mid (pH 6-8) 6.37 15.87 -27.85 4 7 1 85 411.574 8
Lo Low (pH 4.5-6) 6.37 15.86 -25.51 4 7 1 85 411.574 8

Activity (Go SEA)

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