In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2011 | 23 | No |
Popular Name: N-(3-hydroxy-2,5-dioxo-4-pyridin-1-ium-1-yl-pyrrol-1-yl)benzamide N-(3-hydroxy-2,5-dioxo-4-pyridin…
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) | -2.56 | 5.01 | -31.27 | 1 | 7 | 0 | 95 | 309.281 | 3 | ↓ |
Hi High (pH 8-9.5) | -2.49 | 3.33 | -80.72 | 0 | 7 | -1 | 101 | 308.273 | 3 | ↓ |
Lo Low (pH 4.5-6) | -5.39 | 5.86 | -16.14 | 1 | 7 | 0 | 87 | 310.289 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.