In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2004 | 18 | 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) | 3.55 | 9.1 | -61.82 | 2 | 3 | 0 | 57 | 290.19 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.55 | 7.12 | -38.18 | 3 | 3 | 1 | 54 | 291.198 | 8 | ↓ |