In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2004 | 32 | 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) | 4.00 | -2.1 | -24.5 | 2 | 6 | 0 | 83 | 418.456 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.00 | -1.92 | -83.52 | 4 | 6 | 2 | 86 | 420.472 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.00 | -2.01 | -50.52 | 3 | 6 | 1 | 85 | 419.464 | 4 | ↓ |