In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 16 | No |
Popular Name: (5S)-5-[(3R,5S)-5-cyclopropyl-4,5-dihydro-3H-1,2,4-triazol-3-yl]-5H-thieno[3,2-b]pyrrole (5S)-5-[(3R,5S)-5-cyclopropyl-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) | 1.87 | 0.33 | -42.54 | 2 | 4 | 1 | 54 | 233.32 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.87 | -1.06 | -6.32 | 1 | 4 | 0 | 49 | 232.312 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.