UCSF

ZINC65167001

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.50 8.02 -101.3 3 3 2 29 270.461 4
Mid Mid (pH 6-8) 2.50 5.72 -34.4 2 3 1 28 269.453 4
Mid Mid (pH 6-8) 2.50 5.8 -33.94 2 3 1 28 269.453 4

Activity (Go SEA)

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