UCSF

ZINC43285405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 17 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) 1.03 2.45 -124.18 6 4 2 75 322.272 6
Hi High (pH 8-9.5) 1.03 0.45 -8.91 4 4 0 72 320.256 6
Mid Mid (pH 6-8) 1.03 2.12 -37.85 5 4 1 74 321.264 6
Mid Mid (pH 6-8) 1.03 0.72 -52.66 5 4 1 74 321.264 6

Activity (Go SEA)

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