In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2005 | 27 | 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) | 6.42 | 7.96 | -5.62 | 2 | 3 | 0 | 45 | 382.573 | 4 | ↓ |
Lo Low (pH 4.5-6) | 6.42 | 9.55 | -32.31 | 3 | 3 | 1 | 46 | 383.581 | 4 | ↓ |