In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 28 | Yes |
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) | 4.13 | 7.13 | -16.89 | 2 | 7 | 0 | 93 | 404.536 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.31 | 5.62 | -47.24 | 1 | 7 | -1 | 100 | 403.528 | 9 | ↓ |