UCSF

ZINC67490265

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 Yes

Popular Name: 6-methyl-2-(11-oxo-3,7,10-triazaspiro[5.5]undecan-3-yl)pyridine-3-carboxamide 6-methyl-2-(11-oxo-3,7,10-triaza…

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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) -0.82 0.7 -50.48 5 7 1 105 304.374 2 ↓
Mid Mid (pH 6-8) -0.82 -0.04 -38.95 5 7 1 102 304.374 2 ↓
Mid Mid (pH 6-8) -0.82 -0.45 -15.64 4 7 0 100 303.366 2 ↓
Lo Low (pH 4.5-6) -0.82 1.12 -98.69 6 7 2 106 305.382 2 ↓

Activity (Go SEA)

Rings

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

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