In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 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) | -0.56 | 3.54 | -53.89 | 3 | 4 | 1 | 58 | 203.269 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.56 | 3.15 | -10.41 | 2 | 4 | 0 | 57 | 202.261 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.56 | 3.72 | -105.48 | 4 | 4 | 2 | 60 | 204.277 | 4 | ↓ |