In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 22 | Yes |
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) | 1.68 | 4.45 | -36.21 | 3 | 6 | 1 | 66 | 315.482 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 2.41 | -14.73 | 2 | 6 | 0 | 65 | 314.474 | 10 | ↓ |