In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-N1-ethyl-N2-methyl-N2-(m-tolylmethyl)cyclopentane-1,2-diamine (1R,2R)-N1-ethyl-N2-methyl-N2-(m…
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) | 3.21 | 9.52 | -111.45 | 3 | 2 | 2 | 21 | 248.414 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 7.23 | -35.38 | 2 | 2 | 1 | 20 | 247.406 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 8.46 | -34.6 | 2 | 2 | 1 | 16 | 247.406 | 5 | ↓ |