UCSF

ZINC36872503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.56 3.09 -46.72 4 4 1 69 206.269 3
Hi High (pH 8-9.5) -0.56 2.8 -8.02 3 4 0 68 205.261 3
Hi High (pH 8-9.5) -0.56 2.74 -6.51 3 4 0 68 205.261 3
Lo Low (pH 4.5-6) -0.56 3.7 -111.89 5 4 2 71 207.277 3
Lo Low (pH 4.5-6) -0.56 3.71 -114.24 5 4 2 71 207.277 3

Activity (Go SEA)

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

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