UCSF

ZINC69461543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylphenoxy)propan-2-ol (2S)-1-(1-cyclopropyl-6,7-dihydr…

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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) 2.17 7.33 -33.53 2 5 1 52 328.436 6 ↓
Hi High (pH 8-9.5) 2.17 6.87 -11.31 1 5 0 51 327.428 6 ↓
Mid Mid (pH 6-8) 2.17 9.6 -103.59 3 5 2 53 329.444 6 ↓
Lo Low (pH 4.5-6) 2.17 9.13 -43.47 2 5 1 52 328.436 6 ↓

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Rings

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

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