| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-butyl-1-isopropyl-N-[(1R)-1-methylpropyl]pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-butyl-1-i…
| 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) | 2.69 | 5.08 | -27.24 | 3 | 3 | 1 | 34 | 270.485 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 4.08 | -43.2 | 3 | 3 | 1 | 34 | 270.485 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 5.99 | -28.53 | 3 | 3 | 1 | 34 | 270.485 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 7.49 | -94.19 | 4 | 3 | 2 | 35 | 271.493 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 5.4 | -112.3 | 4 | 3 | 2 | 35 | 271.493 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 6.34 | -108.43 | 4 | 3 | 2 | 35 | 271.493 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 7.78 | -217.47 | 5 | 3 | 3 | 37 | 272.501 | 8 | ↓ |
