In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 28th, 2007 | 36 | 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) | 2.34 | 8.41 | -57.92 | 4 | 14 | 0 | 191 | 497.516 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 6.06 | -66.4 | 3 | 14 | -1 | 190 | 496.508 | 10 | ↓ |