In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1R)-1-(4-methoxyphenyl)-N,N'-dimethyl-N'-[(1S,3S)-3-methylcyclohexyl]ethane-1,2-diamine (1R)-1-(4-methoxyphenyl)-N,N'-di…
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) | 3.68 | 9.01 | -118.1 | 3 | 3 | 2 | 30 | 292.467 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 6.94 | -42.21 | 2 | 3 | 1 | 29 | 291.459 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 7.75 | -33.59 | 2 | 3 | 1 | 26 | 291.459 | 6 | ↓ |