UCSF

ZINC36678199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.87 3.62 -73.55 5 5 2 72 249.362 4
Hi High (pH 8-9.5) 0.87 3.29 -37.14 4 5 1 71 248.354 4
Lo Low (pH 4.5-6) 0.87 5.55 -174.09 6 5 3 73 250.37 4

Activity (Go SEA)

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