UCSF

ZINC39323948

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 0.75 4.82 -16.3 2 8 0 123 393.476 4
Mid Mid (pH 6-8) 0.75 7.17 -56.95 3 8 1 124 394.484 4

Activity (Go SEA)

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