| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 11 | Yes |
Popular Name: C3A-0004 C3A-0004
1-[1-(butan-2-yl)pyrrolidin-3-yl]methanamine
3-pyrrolidinemethanamine, 1-(1-methylpropyl)-
| 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) | 0.86 | 3.76 | -99.3 | 4 | 2 | 2 | 32 | 158.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 3.36 | -29.35 | 3 | 2 | 1 | 30 | 157.281 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 1.55 | -43.07 | 3 | 2 | 1 | 31 | 157.281 | 3 | ↓ |
