In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 32 | 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) | 3.35 | 8.17 | -51.21 | 2 | 6 | 1 | 59 | 462.973 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 6.23 | -13.03 | 1 | 6 | 0 | 58 | 461.965 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.35 | 10.5 | -126.82 | 3 | 6 | 2 | 60 | 463.981 | 9 | ↓ |