UCSF

ZINC43982412

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.25 5.85 -110.82 3 4 2 34 287.492 9
Hi High (pH 8-9.5) 2.25 4.18 -37.24 2 4 1 32 286.484 9
Hi High (pH 8-9.5) 2.25 5.54 -38.2 2 4 1 29 286.484 9
Hi High (pH 8-9.5) 2.25 2.91 -1.1 1 4 0 28 285.476 9
Mid Mid (pH 6-8) 2.25 6.67 -102.89 3 4 2 34 287.492 9
Mid Mid (pH 6-8) 2.25 4.12 -32.11 2 4 1 29 286.484 9

Activity (Go SEA)

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