In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 16 | Yes |
Popular Name: N-cyclopropyl-N-[(2S)-2-ethylhexyl]propane-1,3-diamine N-cyclopropyl-N-[(2S)-2-ethylhex…
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) | 2.98 | 7.91 | -104.24 | 4 | 2 | 2 | 32 | 228.424 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 7.53 | -30.68 | 3 | 2 | 1 | 30 | 227.416 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 6.14 | -41.46 | 3 | 2 | 1 | 31 | 227.416 | 10 | ↓ |