In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 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) | 1.95 | 5.07 | -52.88 | 4 | 4 | 1 | 70 | 278.335 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 4.68 | -13.51 | 3 | 4 | 0 | 68 | 277.327 | 3 | ↓ |