In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2004 | 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) | 5.00 | 1 | -12.85 | 0 | 4 | 0 | 66 | 419.937 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.00 | 1.22 | -102.6 | 2 | 4 | 2 | 69 | 421.953 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.00 | 1.11 | -51.62 | 1 | 4 | 1 | 67 | 420.945 | 5 | ↓ |