In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2010 | 29 | No |
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) | 2.18 | 7.03 | -16.44 | 2 | 7 | 0 | 91 | 416.478 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 5.38 | -56.27 | 1 | 7 | -1 | 98 | 415.47 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.