In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-[(1R,3S)-3-methylcyclohexoxy]propan-2-ol (2S)-1-[[(2R)-1-ethylpyrrolidin-…
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) | 1.79 | 4.86 | -38.33 | 3 | 4 | 1 | 49 | 299.479 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 5.4 | -29.32 | 3 | 4 | 1 | 46 | 299.479 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 6.65 | -113.46 | 4 | 4 | 2 | 51 | 300.487 | 8 | ↓ |