UCSF

ZINC26338784

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 22 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) 1.38 4.57 -13.11 1 6 0 62 303.362 3
Lo Low (pH 4.5-6) 1.38 4.09 -37.67 2 6 1 63 304.37 3

Activity (Go SEA)

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