In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 13 | 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) | -0.30 | -0.08 | -33.25 | 4 | 4 | 1 | 60 | 186.279 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.30 | -1.28 | -43.09 | 4 | 4 | 1 | 63 | 186.279 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.30 | 1.13 | -101.91 | 5 | 4 | 2 | 64 | 187.287 | 3 | ↓ |