In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2007 | 21 | 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) | 3.80 | -2.11 | -9.64 | 2 | 3 | 0 | 52 | 319.43 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.80 | 8.69 | -28.82 | 3 | 3 | 1 | 53 | 320.438 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.80 | 8.68 | -34.86 | 3 | 3 | 1 | 53 | 320.438 | 3 | ↓ |