In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 15 | Yes |
Popular Name: N-[(1S)-1-methylpropyl]-N'-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine N-[(1S)-1-methylpropyl]-N'-[[(2S…
None
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) | 1.62 | 4.83 | -112.1 | 4 | 3 | 2 | 42 | 216.369 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 2.23 | -2.23 | 2 | 3 | 0 | 33 | 214.353 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 3.43 | -34.46 | 3 | 3 | 1 | 38 | 215.361 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 3.65 | -35.81 | 3 | 3 | 1 | 38 | 215.361 | 7 | ↓ |