In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 28 | 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) | 4.57 | 9.74 | -49.05 | 0 | 6 | -1 | 62 | 423.852 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.84 | 9.75 | -13.73 | 1 | 6 | 0 | 64 | 424.86 | 7 | ↓ |