UCSF

ZINC09836074

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 19 Yes

Download: MOL2 SDF SMILES Flexibase

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 4.2 -12.6 3 5 0 81 296.421 5
Lo Low (pH 4.5-6) 2.69 4.46 -32.84 4 5 1 82 297.429 5
Lo Low (pH 4.5-6) 2.69 0.6 -28.74 4 5 1 82 297.429 5

Activity (Go SEA)

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