In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (1R,2S,4S)-4-tert-butyl-N-ethyl-2-[(2S)-2-methylpyrrolidin-1-yl]cyclohexanamine (1R,2S,4S)-4-tert-butyl-N-ethyl-…
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) | 3.96 | 9.41 | -109.09 | 3 | 2 | 2 | 21 | 268.489 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 7.35 | -32.28 | 2 | 2 | 1 | 20 | 267.481 | 4 | ↓ |