| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-cyclopropyl-N-isobutyl-1-isopropyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-cycloprop…
| 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) | 1.53 | 4.35 | -27.58 | 3 | 3 | 1 | 34 | 254.442 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 3.61 | -40.2 | 3 | 3 | 1 | 34 | 254.442 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 5.57 | -31.31 | 3 | 3 | 1 | 34 | 254.442 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 3.14 | -0.68 | 2 | 3 | 0 | 32 | 253.434 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 7.07 | -94.34 | 4 | 3 | 2 | 35 | 255.45 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 4.68 | -114.15 | 4 | 3 | 2 | 35 | 255.45 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 5.64 | -116.49 | 4 | 3 | 2 | 35 | 255.45 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 7.15 | -217.85 | 5 | 3 | 3 | 37 | 256.458 | 6 | ↓ |
