UCSF

ZINC22464944

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 27 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) 2.59 6.87 -47.31 2 6 1 56 387.891 5
Hi High (pH 8-9.5) 2.59 5.46 -10.63 1 6 0 51 386.883 5
Lo Low (pH 4.5-6) 2.59 7.29 -89.18 3 6 2 57 388.899 5

Activity (Go SEA)

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