UCSF

ZINC43253667

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) 1.86 3.83 -31.68 4 4 1 60 316.878 5
Hi High (pH 8-9.5) 1.86 2.25 -53.34 4 4 1 60 316.878 5
Hi High (pH 8-9.5) 1.86 1.95 -9.93 3 4 0 58 315.87 5
Mid Mid (pH 6-8) 1.86 4.12 -108.38 5 4 2 61 317.886 5

Activity (Go SEA)

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