In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 28 | 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) | 0.78 | 8.63 | -43.67 | 1 | 10 | 1 | 93 | 402.508 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.78 | 8.19 | -14.92 | 0 | 10 | 0 | 92 | 401.5 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.