UCSF

ZINC59103076

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 13 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) 0.92 2.47 -2.05 0 3 0 16 184.283 1
Mid Mid (pH 6-8) 0.92 4.87 -28.27 1 3 1 17 185.291 1
Mid Mid (pH 6-8) 0.92 4.94 -29.7 1 3 1 17 185.291 1

Activity (Go SEA)

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