In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 19 | 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) | 2.50 | 9.01 | -78.54 | 1 | 4 | 0 | 48 | 260.337 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.50 | 6.73 | -51.5 | 0 | 4 | -1 | 47 | 259.329 | 3 | ↓ |