In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2004 | 16 | No |
Popular Name: 5-[(3aS,6R,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valerate 5-[(3aS,6R,6aR)-2-keto-1,3,3a,4,…
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) | 0.76 | 3.51 | -56.36 | 2 | 5 | -1 | 81 | 243.308 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.76 | 1.53 | -16.73 | 3 | 5 | 0 | 78 | 244.316 | 5 | ↓ |