In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 17 | 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) | -0.28 | 0.77 | -45.64 | 5 | 6 | 1 | 92 | 241.315 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.09 | -0.63 | -41.12 | 4 | 6 | 0 | 98 | 240.307 | 3 | ↓ |