UCSF

ZINC54864206

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 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) -0.47 5.07 -92.27 4 4 2 48 254.403 1
Hi High (pH 8-9.5) -0.47 2.39 -6.24 2 4 0 45 252.387 1
Mid Mid (pH 6-8) -0.47 2.72 -45.1 3 4 1 47 253.395 1
Lo Low (pH 4.5-6) -0.47 5.47 -170.28 5 4 3 49 255.411 1

Activity (Go SEA)

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

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