In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 26 | 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) | 5.64 | 6.96 | -9.37 | 2 | 5 | 0 | 75 | 409.294 | 4 | ↓ |
Ref Reference (pH 7) | 5.64 | 7.29 | -9.39 | 2 | 5 | 0 | 75 | 409.294 | 4 | ↓ |
Hi High (pH 8-9.5) | 6.10 | 5.51 | -40.69 | 1 | 5 | -1 | 78 | 408.286 | 4 | ↓ |
Hi High (pH 8-9.5) | 6.10 | 4.95 | -42.9 | 1 | 5 | -1 | 78 | 408.286 | 4 | ↓ |