UCSF

ZINC39389141

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 25 No

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) 3.96 10.54 -9.69 0 3 0 43 332.447 3
Lo Low (pH 4.5-6) 3.96 11 -43.49 1 3 1 44 333.455 3
Lo Low (pH 4.5-6) 3.96 11 -37.08 1 3 1 44 333.455 3

Activity (Go SEA)

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