In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 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) | 1.76 | 2.51 | -27.58 | 3 | 3 | 1 | 46 | 203.265 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 2.08 | -8.21 | 2 | 3 | 0 | 45 | 202.257 | 3 | ↓ |