UCSF

ZINC19449927

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 25 Yes

Popular Name: 2-[3-(dimethylaminomethyl)-7-(2-thienyl)pyrrolo[2,3-c]pyridin-1-yl]-N-isopropyl-acetamide 2-[3-(dimethylaminomethyl)-7-(2-…

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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) 2.10 9.19 -91.16 3 5 2 53 358.511 6 ↓
Hi High (pH 8-9.5) 2.10 6.26 -15.71 1 5 0 50 356.495 6 ↓
Mid Mid (pH 6-8) 2.10 8.79 -48.75 2 5 1 51 357.503 6 ↓

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

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