UCSF

ZINC37826368

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

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) -0.37 4.97 -41.68 3 4 1 57 275.372 5
Mid Mid (pH 6-8) -0.37 4.65 -8.87 2 4 0 56 274.364 5

Activity (Go SEA)

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