In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | No |
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) | 0.11 | 5.56 | -44.84 | 3 | 2 | 1 | 31 | 237.392 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.11 | 5.13 | -2.6 | 2 | 2 | 0 | 29 | 236.384 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.11 | 6.75 | -38.18 | 3 | 2 | 1 | 30 | 237.392 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.11 | 7.07 | -131.48 | 4 | 2 | 2 | 32 | 238.4 | 3 | ↓ |