In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2010 | 12 | Yes |
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) | 1.54 | 1.97 | -24.33 | 3 | 3 | 1 | 50 | 169.248 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 1.49 | -9.16 | 2 | 3 | 0 | 49 | 168.24 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 1.64 | -7.39 | 2 | 3 | 0 | 49 | 168.24 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4107307; US4107308; US4124766; US4168964; USRE30511 | IBM Patent Data |