In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 12 | 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) | -0.58 | -1.24 | -43.91 | 4 | 3 | 1 | 51 | 173.28 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.58 | 1.07 | -113 | 5 | 3 | 2 | 52 | 174.288 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.58 | 0.69 | -32.38 | 4 | 3 | 1 | 51 | 173.28 | 7 | ↓ |