In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 33 | No |
None
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) | 3.93 | 10.13 | -50.03 | 1 | 6 | 0 | 60 | 442.539 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 10.03 | -12.23 | 0 | 6 | 0 | 59 | 441.531 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 10.87 | -152.57 | 2 | 6 | 0 | 61 | 443.547 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.