UCSF

ZINC36877193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -0.29 3.93 -44.71 4 4 1 69 234.323 3
Hi High (pH 8-9.5) -0.29 4.09 -7.36 3 4 0 68 233.315 3
Lo Low (pH 4.5-6) -0.29 4.91 -112.97 5 4 2 71 235.331 3

Activity (Go SEA)

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

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