In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 14 | Yes |
Popular Name: (2S)-1-(dimethylamino)-3-[(1-methylcyclopentyl)amino]propan-2-ol (2S)-1-(dimethylamino)-3-[(1-met…
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) | 1.33 | 3.45 | -97.3 | 4 | 3 | 2 | 41 | 202.342 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.33 | 4.05 | -38.29 | 3 | 3 | 1 | 44 | 201.334 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.33 | 1.05 | -35.05 | 3 | 3 | 1 | 40 | 201.334 | 5 | ↓ |