In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 27 | Yes |
Popular Name: N-[3-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-yl)phenyl]-4-propyl-benzenesulfonamide N-[3-(6,7-dihydro-5H-pyrrolo[1,2…
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) | 4.04 | 9.79 | -18.83 | 1 | 6 | 0 | 77 | 382.489 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.04 | 9.86 | -54.97 | 0 | 6 | -1 | 79 | 381.481 | 6 | ↓ |