In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 20 | Yes |
Popular Name: (S)-(3,5-dimethylbenzofuran-2-yl)-(5-ethyl-2-thienyl)methanamine (S)-(3,5-dimethylbenzofuran-2-yl…
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) | 4.96 | 8.75 | -42.31 | 3 | 2 | 1 | 41 | 286.42 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.96 | 8.39 | -6.93 | 2 | 2 | 0 | 39 | 285.412 | 3 | ↓ |