In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 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) | 2.73 | 6.32 | -41.46 | 3 | 2 | 1 | 37 | 242.342 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 4.91 | -4.95 | 2 | 2 | 0 | 32 | 241.334 | 5 | ↓ |