| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-isobutyl-N,1-diisopropyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-isobutyl-…
| 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) | 1.84 | 4.23 | -28 | 3 | 3 | 1 | 34 | 256.458 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 3.13 | -39.64 | 3 | 3 | 1 | 34 | 256.458 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 4.48 | -30.16 | 3 | 3 | 1 | 34 | 256.458 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 1.9 | -0.9 | 2 | 3 | 0 | 32 | 255.45 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 6.81 | -91.47 | 4 | 3 | 2 | 35 | 257.466 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 3.77 | -114.31 | 4 | 3 | 2 | 35 | 257.466 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 4.79 | -103.61 | 4 | 3 | 2 | 35 | 257.466 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 6.64 | -214.01 | 5 | 3 | 3 | 37 | 258.474 | 6 | ↓ |
