In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 25 | Yes |
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) | 1.17 | 1.7 | -18.73 | 1 | 8 | 0 | 98 | 336.355 | 3 | ↓ |
Ref Reference (pH 7) | 0.98 | 4.4 | -19.21 | 1 | 8 | 0 | 95 | 336.355 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.17 | 2.2 | -49.28 | 2 | 8 | 1 | 100 | 337.363 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.98 | 4.9 | -49.44 | 2 | 8 | 1 | 96 | 337.363 | 3 | ↓ |