In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 21 | 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) | 1.97 | 6.56 | -43.29 | 2 | 4 | 1 | 37 | 290.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 4.29 | -9.34 | 1 | 4 | 0 | 36 | 289.423 | 7 | ↓ |