In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 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) | -1.23 | -2.04 | -44.51 | 4 | 5 | 1 | 69 | 216.305 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.23 | -2.38 | -9.2 | 3 | 5 | 0 | 68 | 215.297 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.23 | 0.24 | -94.34 | 5 | 5 | 2 | 70 | 217.313 | 5 | ↓ |