In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | 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) | 3.40 | 10.26 | -84.43 | 3 | 3 | 2 | 24 | 297.462 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 7.8 | -41.88 | 2 | 3 | 1 | 23 | 296.454 | 8 | ↓ |