In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 32 | Yes |
Popular Name: 3-methyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]coumarilamide 3-methyl-N-[3-(3-pyridylmethylca…
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) | 4.01 | 9.5 | -13.01 | 2 | 6 | 0 | 84 | 445.544 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | 9.78 | -43.44 | 3 | 6 | 1 | 85 | 446.552 | 5 | ↓ |