In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | 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) | 1.23 | 5.93 | -50.32 | 3 | 3 | 1 | 40 | 279.379 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 5.6 | -4.54 | 2 | 3 | 0 | 38 | 278.371 | 2 | ↓ |