| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-butyl-N-cyclopropyl-1-isopropyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-butyl-N-c…
| 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 | 4.59 | -28.21 | 3 | 3 | 1 | 34 | 254.442 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 2.68 | -38.51 | 3 | 3 | 1 | 34 | 254.442 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 4.41 | -32.56 | 3 | 3 | 1 | 34 | 254.442 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 6.85 | -95.44 | 4 | 3 | 2 | 35 | 255.45 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 4.9 | -113.21 | 4 | 3 | 2 | 35 | 255.45 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 5.16 | -107.61 | 4 | 3 | 2 | 35 | 255.45 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 7.37 | -218.96 | 5 | 3 | 3 | 37 | 256.458 | 7 | ↓ |
