In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | 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) | 3.61 | 3.76 | -8.04 | 3 | 3 | 0 | 52 | 279.339 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.61 | 4.52 | -46.79 | 2 | 3 | -1 | 55 | 278.331 | 4 | ↓ |