UCSF

ZINC42404211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.33 9.33 -114.58 3 2 2 21 236.403 9
Hi High (pH 8-9.5) 3.33 5.78 -2.12 1 2 0 15 234.387 9
Mid Mid (pH 6-8) 3.33 7.21 -38.89 2 2 1 20 235.395 9
Mid Mid (pH 6-8) 3.33 7.9 -35.26 2 2 1 16 235.395 9

Activity (Go SEA)

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