In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 30 | No |
Popular Name: (5R)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-propoxybenzoyl)-5-(4-pyridyl)-5H-pyrrol-2-one (5R)-1-(2-dimethylaminoethyl)-3-…
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) | 2.03 | 9.12 | -78.32 | 1 | 7 | 0 | 87 | 409.486 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 6.59 | -58.54 | 0 | 7 | -1 | 86 | 408.478 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 8.29 | -59.44 | 2 | 7 | 1 | 84 | 410.494 | 9 | ↓ |