In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 30 | 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) | -1.98 | 4.2 | -75.55 | 3 | 10 | -1 | 151 | 434.45 | 8 | ↓ |
Lo Low (pH 4.5-6) | -1.98 | 4.53 | -96.15 | 4 | 10 | 0 | 153 | 435.458 | 8 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4125611; US4226863; US4298605; US4301161; US4328224; US4341776; US4344944; US4415567 | IBM Patent Data |