In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 16 | 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) | 1.24 | -0.98 | -15.35 | 3 | 5 | 0 | 74 | 220.228 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.24 | -0.2 | -52.64 | 2 | 5 | -1 | 77 | 219.22 | 2 | ↓ |