UCSF

ZINC48670538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 18 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) 0.67 0.9 -16.32 2 6 0 85 272.326 5
Mid Mid (pH 6-8) 0.67 0.95 -54.59 1 6 -1 87 271.318 5

Activity (Go SEA)

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