In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 20 | No |
Popular Name: 1-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-3-(4-pyridyl)urea 1-[[(3S)-1,1-dioxothiolane-3-car…
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) | -0.86 | -1.32 | -27.17 | 3 | 8 | 0 | 117 | 298.324 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.86 | -0.86 | -59.45 | 4 | 8 | 1 | 119 | 299.332 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.