In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2011 | 20 | 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) | 2.72 | 6.49 | -34.78 | 1 | 4 | 1 | 26 | 279.404 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 4.21 | -4.93 | 0 | 4 | 0 | 25 | 278.396 | 7 | ↓ |