| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 28th, 2008 | 28 | Yes |
Popular Name: MFCD08146645 MFCD08146645
Find On: PubMed — Wikipedia — Google
CAS Number: 883540-36-1
(1-Ethyl-pyrrolidin-2-ylmethyl)-(7-methoxy-benzo-[1,3]dioxol-5-ylmethyl)-pyridin-2-ylmethyl-amine
ETHYLPYRROLIDINYLMETHYLMETHOXYBENZODIOXOLYLMETHYLPYRIDINYLMETHYLAMIN
| 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) | 2.44 | 9.42 | -37.52 | 1 | 6 | 1 | 48 | 384.5 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.94 | -10.74 | 0 | 6 | 0 | 47 | 383.492 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 8.37 | -34.39 | 1 | 6 | 1 | 48 | 384.5 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 8.39 | -94.45 | 2 | 6 | 2 | 50 | 385.508 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.