In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1S)-N'-methyl-1-phenyl-N-propyl-N'-(3-pyridylmethyl)ethane-1,2-diamine (1S)-N'-methyl-1-phenyl-N-propyl…
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) | 2.75 | 8.11 | -38.34 | 2 | 3 | 1 | 33 | 284.427 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 8.98 | -39.62 | 2 | 3 | 1 | 29 | 284.427 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.75 | 9.99 | -130.38 | 3 | 3 | 2 | 34 | 285.435 | 8 | ↓ |