UCSF

ZINC21908577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 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) 3.51 6.45 -6.28 0 3 0 25 294.807 2
Lo Low (pH 4.5-6) 3.51 6.83 -28.76 1 3 1 27 295.815 2

Activity (Go SEA)

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