| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 29 | Yes |
Popular Name: MFCD08146646 MFCD08146646
Find On: PubMed — Wikipedia — Google
CAS Number: 883540-44-1
1-(4-{[(1-Ethyl-pyrrolidin-2-ylmethyl)-pyridin-2-ylmethyl-amino]-methyl}-phenyl)-pyrrolidin-2-one
ETHYLPYRROLIDINYLMETHYLPYRIDINYLMETHYLAMINOMETHYLPHENYLPYRROLIDINON
| 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) | 2.13 | 11.3 | -38.54 | 1 | 5 | 1 | 41 | 393.555 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 8.88 | -13.5 | 0 | 5 | 0 | 40 | 392.547 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 11.75 | -32.21 | 1 | 5 | 1 | 41 | 393.555 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 12 | -98.1 | 2 | 5 | 2 | 42 | 394.563 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.