In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 26 | 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) | 3.15 | 4.43 | -42.36 | 0 | 5 | -1 | 73 | 383.836 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 6.68 | -10.94 | 1 | 5 | 0 | 66 | 384.844 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 6.95 | -12.08 | 1 | 5 | 0 | 66 | 384.844 | 2 | ↓ |