In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 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) | 3.22 | 7.1 | -8.79 | 1 | 3 | 0 | 41 | 255.317 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 7.74 | -59.98 | 0 | 3 | -1 | 43 | 254.309 | 3 | ↓ |