In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 20 | 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) | 1.24 | 4.72 | -14.99 | 1 | 5 | 0 | 60 | 272.304 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.24 | -0.96 | -48.42 | 2 | 5 | 1 | 61 | 273.312 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.43 | 1.51 | -36.78 | 2 | 5 | 1 | 65 | 273.312 | 6 | ↓ |