In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2011 | 17 | Yes |
Popular Name: (2R)-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-2-(3-methyl-2-thienyl)ethanamine (2R)-2-[(2R)-2-methyl-1,4-oxazep…
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) | 1.48 | 3.35 | -43.96 | 3 | 3 | 1 | 40 | 255.407 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.48 | 2.54 | -3.17 | 2 | 3 | 0 | 38 | 254.399 | 3 | ↓ |