In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 22 | 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) | 4.67 | 9.81 | -32.21 | 2 | 3 | 1 | 43 | 286.358 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.67 | 9.41 | -9.58 | 1 | 3 | 0 | 42 | 285.35 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.67 | 9.87 | -37.36 | 2 | 3 | 1 | 43 | 286.358 | 2 | ↓ |