In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2004 | 25 | 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) | 5.76 | 9.2 | -6.86 | 1 | 2 | 0 | 29 | 367.333 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.83 | 6.63 | -2.77 | 1 | 2 | 0 | 33 | 367.333 | 4 | ↓ |