In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 14 | Yes |
Popular Name: (2S)-2-amino-3,3-dimethyl-1-(1-piperidyl)butan-1-one (2S)-2-amino-3,3-dimethyl-1-(1-p…
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) | 1.14 | 3.47 | -41.13 | 3 | 3 | 1 | 48 | 199.318 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 3.13 | -6.7 | 2 | 3 | 0 | 46 | 198.31 | 2 | ↓ |