UCSF

ZINC19729172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 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) 2.69 6.26 -40.25 2 2 1 20 233.379 4
Lo Low (pH 4.5-6) 2.69 8.51 -117.45 3 2 2 21 234.387 4
Lo Low (pH 4.5-6) 2.69 7.11 -33.4 2 2 1 16 233.379 4

Activity (Go SEA)

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