UCSF

ZINC69799375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) -0.06 1.65 -43.67 3 4 1 49 209.317 2
Hi High (pH 8-9.5) -0.06 1.37 -5.09 2 4 0 47 208.309 2
Lo Low (pH 4.5-6) -0.06 3.78 -108.16 4 4 2 50 210.325 2
Lo Low (pH 4.5-6) -0.06 3.48 -33.4 3 4 1 48 209.317 2

Activity (Go SEA)

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

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