In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 34 | 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) | 3.58 | 13.24 | -18.94 | 0 | 6 | 0 | 65 | 467.598 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 15.56 | -67.12 | 1 | 6 | 1 | 66 | 468.606 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 15.97 | -96.54 | 2 | 6 | 2 | 67 | 469.614 | 6 | ↓ |