In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2009 | 19 | Yes |
Popular Name: (1R,3S)-3-methyl-N-(quinoxalin-2-ylmethyl)cyclohexanamine (1R,3S)-3-methyl-N-(quinoxalin-2…
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) | 3.44 | 6.59 | -43.64 | 2 | 3 | 1 | 42 | 256.373 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 5.44 | -6.06 | 1 | 3 | 0 | 38 | 255.365 | 3 | ↓ |