In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 32 | Yes |
Popular Name: [2-[[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]phenyl] [2-[[3-(3-pyridylmethylcarbamoyl…
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) | 3.12 | 10.32 | -18.53 | 2 | 7 | 0 | 97 | 449.532 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.12 | 10.8 | -52.62 | 3 | 7 | 1 | 99 | 450.54 | 7 | ↓ |