UCSF

ZINC23115177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 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) 2.42 5.68 -3.63 0 3 0 16 248.37 3
Lo Low (pH 4.5-6) 2.42 7.74 -35.15 1 3 1 17 249.378 3

Activity (Go SEA)

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