UCSF

ZINC40282911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 26 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) 2.87 5.33 -13.54 2 6 0 80 369.808 3
Ref Reference (pH 7) 2.69 7.98 -13.51 2 6 0 76 369.808 3
Lo Low (pH 4.5-6) 2.87 5.79 -38.16 3 6 1 81 370.816 3

Activity (Go SEA)

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