In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 20 | Yes |
Popular Name: 1-methyl-6-[(S)-methylamino-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(S)-methylamino-[(3S…
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) | 1.41 | 5.76 | -52.93 | 2 | 4 | 1 | 46 | 275.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 4.65 | -8.18 | 1 | 4 | 0 | 42 | 274.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.