UCSF

ZINC02136288

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 36 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) 5.22 14.22 -47.78 2 7 1 94 484.528 7
Mid Mid (pH 6-8) 5.22 11.87 -20.85 1 7 0 93 483.52 7

Activity (Go SEA)

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