In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | Yes |
Popular Name: (1R)-N-cyclohexyl-N-methyl-1-(3-methyl-2-thienyl)ethane-1,2-diamine (1R)-N-cyclohexyl-N-methyl-1-(3-…
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) | 2.91 | 4.87 | -46.32 | 3 | 2 | 1 | 31 | 253.435 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 6.39 | -28.63 | 3 | 2 | 1 | 30 | 253.435 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.91 | 7.12 | -122.41 | 4 | 2 | 2 | 32 | 254.443 | 4 | ↓ |