In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 34 | Yes |
Popular Name: 3,3,7-trimethyl-4-[3-[4-(2-quinolylmethylene)-1-piperidyl]propoxy]indolin-2-one 3,3,7-trimethyl-4-[3-[4-(2-quino…
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) | 5.38 | 13.78 | -50.17 | 2 | 5 | 1 | 56 | 456.61 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.38 | 11.58 | -12.19 | 1 | 5 | 0 | 54 | 455.602 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.38 | 14.31 | -102.63 | 3 | 5 | 2 | 57 | 457.618 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.