UCSF

ZINC67934669

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 23 Yes

Popular Name: 3-[[(4S)-4-(2-pyridyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine 3-[[(4S)-4-(2-pyridyl)-1,4,6,7-t…

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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) 0.79 7.84 -35.12 4 6 1 85 307.381 3 ↓
Hi High (pH 8-9.5) 0.79 5.7 -11.88 3 6 0 84 306.373 3 ↓
Lo Low (pH 4.5-6) 0.79 6.36 -156.51 6 6 3 87 309.397 3 ↓
Lo Low (pH 4.5-6) 0.79 6.69 -75.36 5 6 2 86 308.389 3 ↓

Activity (Go SEA)

Rings

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

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