In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 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) | 0.03 | 1.66 | -104.47 | 5 | 3 | 2 | 47 | 207.321 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.03 | 0.29 | -43.78 | 4 | 3 | 1 | 43 | 206.313 | 3 | ↓ |