In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 25 | 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) | 3.22 | 6.95 | -13.43 | 2 | 4 | 0 | 54 | 333.435 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.22 | 7.38 | -39.61 | 3 | 4 | 1 | 55 | 334.443 | 3 | ↓ |