In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2011 | 23 | 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) | 6.24 | 12.77 | -31.24 | 1 | 3 | 1 | 31 | 326.545 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.24 | 11.62 | -3.88 | 0 | 3 | 0 | 30 | 325.537 | 10 | ↓ |