UCSF

ZINC42825557

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 0.78 4.27 -111.35 4 3 2 42 200.326 6
Hi High (pH 8-9.5) 0.78 1.57 -2.39 2 3 0 33 198.31 6
Mid Mid (pH 6-8) 0.78 2.86 -34.66 3 3 1 38 199.318 6
Mid Mid (pH 6-8) 0.78 2.98 -36.31 3 3 1 38 199.318 6

Activity (Go SEA)

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