| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 9 | Yes |
Popular Name: 2,4,6-Trihydroxypyridine 2,4,6-Trihydroxypyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 07/12/5768 , 626-47-1
1-Acetyl-N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-indole-6-amine
| 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) | -0.04 | -4.02 | -101.07 | 1 | 4 | -2 | 79 | 125.083 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.94 | -1.98 | -34 | 1 | 4 | -1 | 69 | 126.091 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.68 | -1.96 | -33.94 | 1 | 4 | -1 | 69 | 126.091 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.04 | -4.05 | -48.05 | 2 | 4 | -1 | 76 | 126.091 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.69 | -0.73 | -10.79 | 1 | 4 | 0 | 63 | 127.099 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.