In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 39 | 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) | 5.36 | 14.13 | -56.32 | 1 | 8 | 0 | 93 | 538.685 | 15 | ↓ |
Lo Low (pH 4.5-6) | 5.36 | 13.38 | -47.88 | 2 | 8 | 1 | 90 | 539.693 | 15 | ↓ |