In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2009 | 25 | Yes |
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) | 2.94 | 2.16 | -50.92 | 1 | 7 | -1 | 99 | 399.228 | 2 | ↓ |
Ref Reference (pH 7) | 2.75 | 4.91 | -46.27 | 1 | 7 | -1 | 96 | 399.228 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 4.04 | -11.75 | 2 | 7 | 0 | 96 | 400.236 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.30 | 6.72 | -11.4 | 2 | 7 | 0 | 93 | 400.236 | 2 | ↓ |