In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 29 | 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) | 3.03 | 13.46 | -14.24 | 0 | 7 | 0 | 62 | 401.555 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 13.77 | -31.2 | 1 | 7 | 1 | 63 | 402.563 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 13.76 | -37.58 | 1 | 7 | 1 | 63 | 402.563 | 4 | ↓ |