In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2010 | 17 | 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) | 3.21 | 8.12 | -11.69 | 2 | 3 | 0 | 43 | 243.697 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.21 | 8.2 | -24.9 | 3 | 3 | 1 | 45 | 244.705 | 1 | ↓ |