In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2009 | 35 | 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) | 4.60 | 9.08 | -51.31 | 3 | 5 | 1 | 63 | 474.621 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 7.08 | -6.2 | 2 | 5 | 0 | 62 | 473.613 | 5 | ↓ |