In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | 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) | 3.10 | 2.12 | -6.86 | 3 | 3 | 0 | 52 | 263.724 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.10 | 2.87 | -40.69 | 2 | 3 | -1 | 55 | 262.716 | 4 | ↓ |