In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 15 | Yes |
None
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) | 1.31 | 2.91 | -34.2 | 3 | 3 | 1 | 37 | 215.361 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.31 | 1.86 | -39.8 | 3 | 3 | 1 | 40 | 215.361 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.31 | 4.1 | -104.17 | 4 | 3 | 2 | 41 | 216.369 | 7 | ↓ |