| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 13 | Yes |
Popular Name: 2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-butan-1-ol 2-[(3-Methyl-thiophen-2-ylmethyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 869943-05-5
| 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) | 2.01 | 3.09 | -34.4 | 3 | 2 | 1 | 37 | 200.327 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 1.68 | -3.99 | 2 | 2 | 0 | 32 | 199.319 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
