In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 19 | 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) | -0.42 | 3.98 | -37.59 | 3 | 4 | 1 | 43 | 262.377 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.42 | 1.99 | -44.94 | 3 | 4 | 1 | 43 | 262.377 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.42 | 1.67 | -4.12 | 2 | 4 | 0 | 42 | 261.369 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.42 | 3.6 | -36.53 | 3 | 4 | 1 | 43 | 262.377 | 2 | ↓ |