In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 17 | Yes |
Popular Name: 3-methyl-N2-[[(1S,2S)-2-methylcyclohexyl]methyl]pyridine-2,5-diamine 3-methyl-N2-[[(1S,2S)-2-methylcy…
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) | 3.46 | 6.32 | -25.76 | 4 | 3 | 1 | 52 | 234.367 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 5.97 | -4.62 | 3 | 3 | 0 | 51 | 233.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.