In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2009 | 31 | Yes |
Popular Name: N-[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-1-oxo-2H-isoquinoline-3-carboxamide N-[(2R)-2-(1H-indol-3-yl)-2-phen…
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) | 4.49 | 10 | -15.45 | 3 | 5 | 0 | 78 | 407.473 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.94 | 9.02 | -46.76 | 2 | 5 | -1 | 81 | 406.465 | 5 | ↓ |