In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2010 | 19 | 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) | 1.73 | 7.36 | -9.19 | 1 | 4 | 0 | 51 | 250.305 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 8.26 | -77.86 | 3 | 4 | 2 | 53 | 252.321 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 7.83 | -31.44 | 2 | 4 | 1 | 52 | 251.313 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 7.8 | -39.69 | 2 | 4 | 1 | 52 | 251.313 | 3 | ↓ |