UCSF

ZINC04822351

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 20 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) -1.19 -2.02 -12.28 4 9 0 129 281.272 3
Lo Low (pH 4.5-6) -1.19 -1.77 -41.76 5 9 1 130 282.28 3
Lo Low (pH 4.5-6) -1.19 -6.18 -34.08 5 9 1 130 282.28 3

Activity (Go SEA)

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