In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 30 | Yes |
Popular Name: N-[3-oxo-3-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]amino]propyl]naphthalene-2-carboxamide N-[3-oxo-3-[[5-(p-tolyl)-1,3,4-t…
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) | 4.47 | 9.72 | -29.29 | 2 | 6 | 0 | 84 | 416.506 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.66 | 8.48 | -55.34 | 1 | 6 | -1 | 90 | 415.498 | 6 | ↓ |