In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 37 | 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) | 5.81 | 12.16 | -61.93 | 0 | 7 | -1 | 88 | 508.635 | 14 | ↓ |
Lo Low (pH 4.5-6) | 5.81 | 11.41 | -16.53 | 1 | 7 | 0 | 85 | 509.643 | 14 | ↓ |