In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 20 | Yes |
Popular Name: 1-(3-methoxypropyl)-1-methyl-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-(3-methoxypropyl)-1-methyl-3-[…
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) | 2.17 | 5.44 | -18.77 | 1 | 6 | 0 | 67 | 312.42 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 3.91 | -52.25 | 0 | 6 | -1 | 74 | 311.412 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.