UCSF

ZINC69459530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 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) -0.92 3.84 -43.19 3 7 1 81 306.39 3
Hi High (pH 8-9.5) -0.92 3.38 -27.63 2 7 0 79 305.382 3
Lo Low (pH 4.5-6) -0.92 5.53 -60.01 3 7 1 80 306.39 3

Activity (Go SEA)

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

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