UCSF

ZINC67955565

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 22 Yes

Popular Name: 5-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-indole-2-carboxylic 5-methyl-3-[(4S)-4,5,6,7-tetrahy…

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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) 2.17 6.88 -58.23 4 6 0 101 296.33 2 ↓
Hi High (pH 8-9.5) 2.17 5.57 -62.34 3 6 -1 97 295.322 2 ↓

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Rings

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

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