UCSF

ZINC43243184

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.44 6.25 -23.68 3 3 1 40 297.488 8
Hi High (pH 8-9.5) 2.44 4.49 -1.76 2 3 0 38 296.48 8
Mid Mid (pH 6-8) 2.44 4.83 -37.49 3 3 1 40 297.488 8
Mid Mid (pH 6-8) 2.44 6.55 -108.62 4 3 2 41 298.496 8

Activity (Go SEA)

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