In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 26 | No |
Popular Name: (5S)-1-(2-dimethylaminoethyl)-4-(4-fluorobenzoyl)-5-(2-furyl)-3-hydroxy-5H-pyrrol-2-one (5S)-1-(2-dimethylaminoethyl)-4-…
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) | 1.83 | 7.73 | -72.86 | 1 | 6 | 0 | 78 | 358.369 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 5.2 | -54.79 | 0 | 6 | -1 | 77 | 357.361 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 6.91 | -54.18 | 2 | 6 | 1 | 75 | 359.377 | 6 | ↓ |