In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2010 | 32 | No |
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) | -4.53 | -4.2 | -377.39 | 5 | 19 | -4 | 310 | 519.149 | 8 | ↓ |
Mid Mid (pH 6-8) | -4.53 | -5.35 | -240.33 | 6 | 19 | -3 | 308 | 520.157 | 8 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US3934369; WO1993004191A1 | IBM Patent Data |