In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 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) | 1.99 | 3.09 | -70.11 | 1 | 5 | -1 | 86 | 242.276 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 3.16 | -133.74 | 0 | 5 | -2 | 88 | 241.268 | 4 | ↓ |