UCSF

ZINC22049089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 2.30 5.69 -35.74 2 3 1 26 249.378 4
Lo Low (pH 4.5-6) 2.30 5.56 -41.37 2 3 1 29 249.378 4
Lo Low (pH 4.5-6) 2.30 7.1 -115.29 3 3 2 30 250.386 4

Activity (Go SEA)

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