UCSF

ZINC69740431

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

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

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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) 1.36 9.31 -35.57 1 5 1 43 325.436 2 ↓
Hi High (pH 8-9.5) 1.36 8.85 -19.75 0 5 0 41 324.428 2 ↓
Lo Low (pH 4.5-6) 1.36 11.04 -50.12 1 5 1 43 325.436 2 ↓

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Rings

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

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