In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 12 | Yes |
Popular Name: 1-[2-hydroxyethyl(methyl)amino]-3,3-dimethyl-butan-2-one 1-[2-hydroxyethyl(methyl)amino]-…
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) | 0.58 | 2.79 | -35.65 | 2 | 3 | 1 | 42 | 174.264 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.58 | 0.53 | -8.43 | 1 | 3 | 0 | 41 | 173.256 | 5 | ↓ |