In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 1.30 | 4.39 | -48.73 | 3 | 4 | 1 | 57 | 275.372 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.30 | 3.99 | -7.83 | 2 | 4 | 0 | 56 | 274.364 | 2 | ↓ |