In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2011 | 38 | 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) | 6.27 | 14.31 | -74.04 | 1 | 7 | 0 | 83 | 543.104 | 15 | ↓ |
Lo Low (pH 4.5-6) | 6.27 | 13.55 | -49.67 | 2 | 7 | 1 | 81 | 544.112 | 15 | ↓ |