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) | 0.72 | 1.71 | -68.13 | 2 | 8 | -1 | 123 | 372.353 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.72 | 0.81 | -19.85 | 3 | 8 | 0 | 120 | 373.361 | 7 | ↓ |