In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 18th, 2008 | 22 | Yes |
Popular Name: 3-(1H-indol-3-yl)-N-[(1R)-1-(4-pyridyl)ethyl]propanamide 3-(1H-indol-3-yl)-N-[(1R)-1-(4-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) | 2.56 | 7.22 | -11.39 | 2 | 4 | 0 | 58 | 293.37 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.75 | 5.25 | -36.74 | 3 | 4 | 1 | 63 | 294.378 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.56 | 7.63 | -47.51 | 3 | 4 | 1 | 59 | 294.378 | 5 | ↓ |