UCSF

ZINC37822171

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.67 5.29 -37.95 2 4 1 50 248.35 4
Lo Low (pH 4.5-6) 0.67 5.75 -98.85 3 4 2 51 249.358 4

Activity (Go SEA)

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