In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 26th, 2006 | 29 | No |
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) | 1.12 | -1.76 | -17.25 | 1 | 7 | 0 | 96 | 409.467 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | -1.94 | -23.01 | 0 | 7 | 0 | 93 | 409.467 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.57 | -2.03 | -51.91 | 2 | 7 | 1 | 97 | 410.475 | 4 | ↓ |