In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 22 | 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) | 2.43 | 5.06 | -12.18 | 1 | 5 | 0 | 62 | 315.398 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 2.91 | -32.48 | 2 | 5 | 1 | 67 | 316.406 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.43 | 5.4 | -36.27 | 2 | 5 | 1 | 64 | 316.406 | 1 | ↓ |