UCSF

ZINC39133125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.20 3.88 -38.87 4 3 1 56 170.261 4
Mid Mid (pH 6-8) -0.20 3.41 -15.46 3 3 0 55 169.253 4
Mid Mid (pH 6-8) -0.20 3.4 -15.37 3 3 0 55 169.253 4

Activity (Go SEA)

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