UCSF

ZINC23042745

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 19 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) 0.49 1.36 -34.5 1 9 -1 131 263.189 3
Hi High (pH 8-9.5) 0.67 -0.43 -86.75 0 9 -2 137 262.181 3
Lo Low (pH 4.5-6) 0.49 1 -12.1 2 9 0 128 264.197 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.