In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 18 | 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) | 2.18 | 4.83 | -53.03 | 3 | 4 | 1 | 59 | 264.736 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 3.47 | -12.23 | 2 | 4 | 0 | 54 | 263.728 | 4 | ↓ |