In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2006 | 22 | 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) | 4.76 | 10.1 | -42.34 | 2 | 3 | 1 | 38 | 307.502 | 13 | ↓ |
Lo Low (pH 4.5-6) | 4.76 | 10.38 | -94.76 | 3 | 3 | 2 | 39 | 308.51 | 13 | ↓ |