UCSF

ZINC69742705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 Yes

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

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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) 1.69 7.55 -37.39 2 5 1 52 338.431 5 ↓
Hi High (pH 8-9.5) 1.69 7.09 -13.77 1 5 0 51 337.423 5 ↓
Mid Mid (pH 6-8) 1.69 9.81 -106.56 3 5 2 53 339.439 5 ↓
Lo Low (pH 4.5-6) 1.69 9.35 -46.37 2 5 1 52 338.431 5 ↓

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Rings

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

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