In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | No |
None
None
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) | 3.75 | 6.9 | -10.87 | 0 | 7 | 0 | 64 | 464.562 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 9.17 | -48.44 | 1 | 7 | 1 | 66 | 465.57 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 9.78 | -53.52 | 1 | 7 | 1 | 66 | 465.57 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.75 | 12.05 | -126.96 | 2 | 7 | 2 | 67 | 466.578 | 7 | ↓ |