In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 7.06 | 13.83 | -9.06 | 0 | 4 | 0 | 43 | 453.582 | 6 | ↓ |
Mid Mid (pH 6-8) | 7.06 | 16.69 | -51.81 | 1 | 4 | 1 | 44 | 454.59 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.