UCSF

ZINC43248102

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) 1.23 5.56 -107.6 4 4 2 52 299.484 7
Hi High (pH 8-9.5) 1.23 4.57 -44.29 3 4 1 51 298.476 7
Hi High (pH 8-9.5) 1.23 4.27 -6.39 2 4 0 50 297.468 7
Mid Mid (pH 6-8) 1.23 5.27 -30.9 3 4 1 51 298.476 7

Activity (Go SEA)

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