| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-cyclopentyl-N-ethyl-1-isopropyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-cyclopent…
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 1.82 | 2.29 | -40.19 | 3 | 3 | 1 | 34 | 254.442 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 4.85 | -30.63 | 3 | 3 | 1 | 34 | 254.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.55 | -95.75 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 4.09 | -27 | 3 | 3 | 1 | 34 | 254.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 4.01 | -117.1 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 6.47 | -222.43 | 5 | 3 | 3 | 37 | 256.458 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 4.76 | -111.49 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
