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) | 6.15 | 11.6 | -11.59 | 0 | 4 | 0 | 43 | 494.36 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.15 | 14.44 | -61.73 | 1 | 4 | 1 | 44 | 495.368 | 4 | ↓ |