In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2007 | 33 | Yes |
Popular Name: 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethylaminomethyl]indole-2-carboxylic 1-benzyl-3-[2-(3,4-dimethoxyphen…
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) | 4.57 | 13.87 | -45.49 | 2 | 6 | 0 | 80 | 444.531 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.57 | 12.51 | -54.8 | 1 | 6 | -1 | 76 | 443.523 | 10 | ↓ |