In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 15 | 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) | -0.93 | 3.51 | -33.18 | 3 | 4 | 0 | 77 | 213.208 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.93 | 3.19 | -53.04 | 2 | 4 | -1 | 75 | 212.2 | 4 | ↓ |