UCSF

ZINC39202615

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2010 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) 4.84 13.83 -44.95 1 3 1 31 404.484 5
Mid Mid (pH 6-8) 4.84 11.58 -8.38 0 3 0 30 403.476 5
Mid Mid (pH 6-8) 4.84 13.42 -46.48 1 3 1 31 404.484 5

Activity (Go SEA)

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