In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2010 | 17 | Yes |
Popular Name: N-ethyl-N',2,2-trimethyl-N'-(3-pyridylmethyl)propane-1,3-diamine N-ethyl-N',2,2-trimethyl-N'-(3-p…
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) | 1.47 | 7.28 | -103.17 | 3 | 3 | 2 | 34 | 237.391 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 5.56 | -35.9 | 2 | 3 | 1 | 33 | 236.383 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 6.1 | -38.76 | 2 | 3 | 1 | 29 | 236.383 | 7 | ↓ |