In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 29 | No |
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) | -4.48 | -5.42 | -390.16 | 4 | 17 | -4 | 282 | 479.124 | 8 | ↓ |
Mid Mid (pH 6-8) | -4.48 | -6.58 | -253.27 | 5 | 17 | -3 | 279 | 480.132 | 8 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4613589; US4613590; WO1999065926A1 | IBM Patent Data |