UCSF

ZINC19733949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 19 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) 3.91 7.96 -9.15 2 3 0 43 292.169 1
Lo Low (pH 4.5-6) 3.91 8.37 -25.91 3 3 1 45 293.177 1

Activity (Go SEA)

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