In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 31 | No |
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) | 1.03 | 1.42 | -54.33 | 4 | 10 | -1 | 170 | 429.357 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.03 | 2.41 | -129.33 | 3 | 10 | -2 | 173 | 428.349 | 4 | ↓ |