In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2011 | 40 | 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) | 5.55 | 14.53 | -70.12 | 1 | 10 | 0 | 129 | 553.656 | 16 | ↓ |
Lo Low (pH 4.5-6) | 5.55 | 13.77 | -53.84 | 2 | 10 | 1 | 126 | 554.664 | 16 | ↓ |