In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | Yes |
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) | 4.20 | 6.9 | -11.02 | 0 | 6 | 0 | 55 | 454.954 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 9.16 | -50.23 | 1 | 6 | 1 | 56 | 455.962 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 9.73 | -56.33 | 1 | 6 | 1 | 56 | 455.962 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.20 | 12.01 | -131.84 | 2 | 6 | 2 | 58 | 456.97 | 5 | ↓ |