UCSF

ZINC39300917

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 4.01 9.97 -13.78 2 8 0 83 460.582 9
Mid Mid (pH 6-8) 4.01 12.25 -50.84 3 8 1 84 461.59 9

Activity (Go SEA)

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