In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 16 | 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) | 2.18 | 3.65 | -14.22 | 1 | 4 | 0 | 50 | 223.272 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 4.64 | -59.37 | 0 | 4 | -1 | 53 | 222.264 | 4 | ↓ |