In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 4th, 2006 | 27 | 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) | 2.50 | 12.85 | -14.29 | 0 | 6 | 0 | 54 | 381.505 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | 13.6 | -27.69 | 1 | 6 | 0 | 55 | 382.513 | 7 | ↓ |