In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2009 | 29 | 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) | 1.83 | 7.41 | -14.84 | 0 | 8 | 0 | 98 | 406.423 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 7.77 | -34.7 | 1 | 8 | 1 | 100 | 407.431 | 3 | ↓ |