In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 27 | 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) | 2.40 | 6.07 | -56.58 | 1 | 5 | -1 | 81 | 372.347 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 5.32 | -10.64 | 2 | 5 | 0 | 78 | 373.355 | 5 | ↓ |