In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 33 | 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) | 3.74 | 15.46 | -38.28 | 1 | 6 | 1 | 46 | 446.619 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.74 | 13.09 | -10.4 | 0 | 6 | 0 | 45 | 445.611 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 16.38 | -79.49 | 2 | 6 | 2 | 47 | 447.627 | 8 | ↓ |