UCSF

ZINC42913138

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.25 5.83 -123.84 4 3 2 35 295.446 5
Mid Mid (pH 6-8) 2.25 5.76 -96.79 4 3 2 35 295.446 5
Mid Mid (pH 6-8) 2.25 5.5 -35.59 3 3 1 34 294.438 5

Activity (Go SEA)

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