In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 15 | 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) | 3.05 | 6.49 | -113.94 | 4 | 2 | 2 | 32 | 214.397 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 4.18 | -41.09 | 3 | 2 | 1 | 31 | 213.389 | 4 | ↓ |