In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 32 | No |
Popular Name: (5R)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-5-(2-thienyl)-5H-pyrrol-2-one (5R)-1-(2-diethylaminoethyl)-3-h…
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) | 4.24 | 11.57 | -69.2 | 1 | 6 | 0 | 74 | 456.608 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.24 | 9.28 | -56.56 | 0 | 6 | -1 | 73 | 455.6 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.24 | 10.76 | -51.23 | 2 | 6 | 1 | 71 | 457.616 | 11 | ↓ |