In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 30 | No |
Popular Name: N-(m-tolylmethyl)-4,4-dioxo-1-(p-tolyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide N-(m-tolylmethyl)-4,4-dioxo-1-(p…
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) | 3.24 | 7.33 | -16.47 | 1 | 7 | 0 | 92 | 420.494 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 5.09 | -65.3 | 0 | 7 | -1 | 98 | 419.486 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 7.63 | -45.33 | 2 | 7 | 1 | 93 | 421.502 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.