UCSF

ZINC38575702

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 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) 0.27 -1.1 -10.98 2 5 0 74 261.306 1
Lo Low (pH 4.5-6) 0.27 -0.97 -42.42 3 5 1 76 262.314 1
Lo Low (pH 4.5-6) 0.27 -0.11 -41.25 3 5 1 76 262.314 1

Activity (Go SEA)

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