In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 14 | 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) | 1.21 | 4.27 | -41.4 | 3 | 3 | 1 | 48 | 199.318 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 3.94 | -6.19 | 2 | 3 | 0 | 46 | 198.31 | 6 | ↓ |