UCSF

ZINC19729167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 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) 2.22 5.5 -40.43 2 2 1 20 219.352 3
Lo Low (pH 4.5-6) 2.22 7.74 -117.56 3 2 2 21 220.36 3
Lo Low (pH 4.5-6) 2.22 6.35 -33.53 2 2 1 16 219.352 3

Activity (Go SEA)

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