In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 19 | Yes |
Popular Name: (2R)-N'-methyl-2-phenyl-N'-(2-pyridylmethyl)propane-1,3-diamine (2R)-N'-methyl-2-phenyl-N'-(2-py…
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) | 1.44 | 4.85 | -40.92 | 3 | 3 | 1 | 44 | 256.373 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 5.57 | -90.04 | 4 | 3 | 2 | 45 | 257.381 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 6.83 | -114.36 | 4 | 3 | 2 | 45 | 257.381 | 6 | ↓ |