In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 20 | No |
Popular Name: 3-[(1S)-1-methylbutyl]-2-sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 3-[(1S)-1-methylbutyl]-2-sulfany…
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) | 3.78 | 10.19 | -8.64 | 1 | 3 | 0 | 38 | 308.472 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.23 | 9.16 | -38.23 | 0 | 3 | -1 | 41 | 307.464 | 3 | ↓ |