| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 13 | Yes |
Popular Name: (3S)-N1-[[(2S)-tetrahydropyran-2-yl]methyl]butane-1,3-diamine (3S)-N1-[[(2S)-tetrahydropyran-2…
| 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) | 0.10 | 2.26 | -109.12 | 5 | 3 | 2 | 53 | 188.315 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 0.84 | -39.2 | 4 | 3 | 1 | 49 | 187.307 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 1.97 | -34 | 4 | 3 | 1 | 52 | 187.307 | 5 | ↓ |
