In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | Yes |
Popular Name: 2,4-dimethyl-6-oxo-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxylic 2,4-dimethyl-6-oxo-1-[(4S)-4,5,6…
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) | 2.76 | 9.6 | -47.92 | 0 | 4 | -1 | 62 | 302.375 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.