UCSF

ZINC01005363

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 22 No

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) 3.46 6.52 -16.8 2 4 0 65 296.37 5
Ref Reference (pH 7) 3.46 7.66 -15.73 2 4 0 65 296.37 5
Lo Low (pH 4.5-6) 3.46 6.93 -46.4 3 4 1 66 297.378 5
Lo Low (pH 4.5-6) 3.46 8.01 -41.06 3 4 1 66 297.378 5

Activity (Go SEA)

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