UCSF

ZINC04892335

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 18 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) 1.96 5.66 -44.47 2 4 1 58 247.318 3
Mid Mid (pH 6-8) 1.96 3.64 -8.11 1 4 0 56 246.31 3

Activity (Go SEA)

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