In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | Yes |
Popular Name: (1R,5R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,3,5-trimethyl-cyclohexanamine (1R,5R)-N-[[(2S)-1-ethylpyrrolid…
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 | 7.65 | -34.62 | 2 | 2 | 1 | 20 | 253.454 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 8.27 | -29.1 | 2 | 2 | 1 | 16 | 253.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 9.45 | -114.69 | 3 | 2 | 2 | 21 | 254.462 | 4 | ↓ |