In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | 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) | 2.42 | 6.53 | -45.39 | 2 | 3 | 1 | 29 | 265.352 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 5.09 | -4.64 | 1 | 3 | 0 | 24 | 264.344 | 3 | ↓ |