In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 19 | Yes |
Popular Name: (2S)-N'-methyl-2-phenyl-N'-(4-pyridylmethyl)propane-1,3-diamine (2S)-N'-methyl-2-phenyl-N'-(4-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) | 1.32 | 4.82 | -53.86 | 3 | 3 | 1 | 44 | 256.373 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.32 | 5.28 | -91.31 | 4 | 3 | 2 | 45 | 257.381 | 6 | ↓ |