In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 16 | Yes |
Popular Name: (1R,2R,4S)-4-tert-butyl-2-pyrrolidin-1-yl-cyclohexanamine (1R,2R,4S)-4-tert-butyl-2-pyrrol…
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) | 2.34 | 6.62 | -112.63 | 4 | 2 | 2 | 32 | 226.408 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 4.95 | -42.67 | 3 | 2 | 1 | 31 | 225.4 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 6.29 | -29.5 | 3 | 2 | 1 | 30 | 225.4 | 2 | ↓ |