UCSF

ZINC69969721

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(2-thienylmethoxy)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) 0.31 4.84 -35.57 2 5 1 52 308.427 6 ↓
Hi High (pH 8-9.5) 0.31 4.38 -12.77 1 5 0 51 307.419 6 ↓
Mid Mid (pH 6-8) 0.31 7.1 -101.55 3 5 2 53 309.435 6 ↓
Lo Low (pH 4.5-6) 0.31 6.63 -42.85 2 5 1 52 308.427 6 ↓

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Rings

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

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