UCSF

ZINC39388713

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 23 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) 4.46 10.51 -35.78 1 3 1 17 319.513 9
Hi High (pH 8-9.5) 4.46 8.25 -3.96 0 3 0 16 318.505 9
Mid Mid (pH 6-8) 4.46 10.62 -34.67 1 3 1 17 319.513 9

Activity (Go SEA)

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