In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 20 | No |
Popular Name: 2-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-4,5-dihydrothiazole 2-[(5-pyrrolidin-1-ylsulfonyl-2-…
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) | 1.99 | 2.89 | -12.19 | 0 | 5 | 0 | 63 | 332.472 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.99 | 3.88 | -40.37 | 1 | 5 | 1 | 64 | 333.48 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.