In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 25 | Yes |
None
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) | 2.62 | 9.12 | -80.48 | 4 | 5 | 2 | 48 | 341.503 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 9 | -45.51 | 3 | 5 | 1 | 46 | 340.495 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | 9.98 | -203.27 | 5 | 5 | 3 | 52 | 342.511 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.