In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2012 | 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) | 1.83 | 9.99 | -29.88 | 0 | 7 | 0 | 64 | 458.559 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 12.22 | -70.47 | 1 | 7 | 1 | 65 | 459.567 | 6 | ↓ |