In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2011 | 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) | 0.83 | 4.46 | -172.91 | 5 | 6 | 3 | 75 | 284.428 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.83 | 4.22 | -99.85 | 4 | 6 | 2 | 74 | 283.42 | 5 | ↓ |