UCSF

ZINC69925055

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 Yes

Popular Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamid (2S)-N-(1,3-benzodioxol-5-ylmeth…

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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) 0.20 5.65 -36.16 2 7 1 70 343.407 4 ↓
Hi High (pH 8-9.5) 0.20 5.19 -18.8 1 7 0 69 342.399 4 ↓
Lo Low (pH 4.5-6) 0.20 7.26 -42.31 2 7 1 70 343.407 4 ↓

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

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