UCSF

ZINC49428858

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 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) -1.19 2.69 -46.53 3 6 1 81 275.332 3
Mid Mid (pH 6-8) -1.19 0.41 -9.77 2 6 0 80 274.324 3

Activity (Go SEA)

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