UCSF

ZINC43262779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.84 3.16 -122.28 5 4 2 62 353.326 8
Hi High (pH 8-9.5) 1.84 0.67 -4.28 3 4 0 59 351.31 8
Mid Mid (pH 6-8) 1.84 2.87 -38.99 4 4 1 60 352.318 8
Mid Mid (pH 6-8) 1.84 1 -47.15 4 4 1 60 352.318 8

Activity (Go SEA)

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