In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (3R)-N3-ethyl-N1-isopropyl-N1-pentyl-butane-1,3-diamine (3R)-N3-ethyl-N1-isopropyl-N1-pe…
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) | 3.72 | 8.66 | -99.81 | 3 | 2 | 2 | 21 | 230.44 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.72 | 6.76 | -34.07 | 2 | 2 | 1 | 20 | 229.432 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.72 | 7.59 | -29.36 | 2 | 2 | 1 | 16 | 229.432 | 10 | ↓ |