In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 24 | Yes |
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) | 3.58 | 7.8 | -36.89 | 3 | 5 | 1 | 62 | 342.492 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 7.33 | -9.25 | 2 | 5 | 0 | 61 | 341.484 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 9.74 | -107.11 | 4 | 5 | 2 | 63 | 343.5 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 9.28 | -41.97 | 3 | 5 | 1 | 62 | 342.492 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.