In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2006 | 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) | 3.69 | 12.12 | -9.76 | 1 | 5 | 0 | 58 | 281.363 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 12.12 | -30.99 | 2 | 5 | 1 | 59 | 282.371 | 6 | ↓ |