UCSF

ZINC43895910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.10 8.04 -125.14 3 4 2 40 296.455 9
Hi High (pH 8-9.5) 3.10 6.6 -41.49 2 4 1 38 295.447 9
Mid Mid (pH 6-8) 3.10 6.84 -39.52 2 4 1 35 295.447 9

Activity (Go SEA)

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