In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2007 | 21 | 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) | 3.14 | 6.59 | -12.38 | 2 | 5 | 0 | 72 | 322.459 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 6.87 | -33.35 | 3 | 5 | 1 | 73 | 323.467 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 3.32 | -31.78 | 3 | 5 | 1 | 73 | 323.467 | 3 | ↓ |