UCSF

ZINC35433267

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 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) 1.61 8.68 -79.57 2 6 1 66 275.332 3
Hi High (pH 8-9.5) 1.61 5.99 -60.87 0 6 -1 64 273.316 3
Mid Mid (pH 6-8) 1.61 6.47 -46.78 1 6 0 65 274.324 3
Lo Low (pH 4.5-6) 1.61 8.22 -63.86 1 6 0 65 274.324 3

Activity (Go SEA)

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