UCSF

ZINC69688129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 14 Yes

Popular Name: 2-[(1S)-1,2-dimethylpropyl]-3H-imidazo[4,5-c]pyridine 2-[(1S)-1,2-dimethylpropyl]-3H-i…

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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) 2.07 3.75 -36.84 0 3 -1 40 188.254 2 ↓
Mid Mid (pH 6-8) 2.07 4.48 -7.48 1 3 0 42 189.262 2 ↓
Lo Low (pH 4.5-6) 2.07 4.94 -32.82 2 3 1 43 190.27 2 ↓
Lo Low (pH 4.5-6) 2.07 5.37 -93.6 3 3 2 44 191.278 2 ↓

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Rings

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

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