| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: (2S)-N1-methyl-2-phenyl-N1-(3-pyridylmethyl)propane-1,2-diamine (2S)-N1-methyl-2-phenyl-N1-(3-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) | 1.94 | 4.73 | -42.89 | 3 | 3 | 1 | 44 | 256.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 4.5 | -4.12 | 2 | 3 | 0 | 42 | 255.365 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 7.19 | -39.64 | 3 | 3 | 1 | 43 | 256.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
