| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2010 | 19 | Yes |
Popular Name: (1S)-N'-[(3S)-1-cyclopropylpyrrolidin-3-yl]-1-phenyl-propane-1,3-diamine (1S)-N'-[(3S)-1-cyclopropylpyrro…
| 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) | 0.00 | 5.67 | -32.32 | 4 | 3 | 1 | 42 | 260.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 6.86 | -112.52 | 5 | 3 | 2 | 47 | 261.413 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 3.61 | -46.51 | 4 | 3 | 1 | 43 | 260.405 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 4.49 | -39.24 | 4 | 3 | 1 | 46 | 260.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.00 | 6.01 | -94.56 | 5 | 3 | 2 | 44 | 261.413 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.00 | 7.21 | -216.14 | 6 | 3 | 3 | 49 | 262.421 | 6 | ↓ |
