In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | 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) | 0.44 | 3.73 | -42.92 | 3 | 3 | 1 | 40 | 235.351 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 3.29 | -3.16 | 2 | 3 | 0 | 38 | 234.343 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 5.13 | -36.64 | 3 | 3 | 1 | 40 | 235.351 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 5.44 | -125.44 | 4 | 3 | 2 | 41 | 236.359 | 3 | ↓ |