In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 12 | 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) | 1.90 | 5.62 | -105.86 | 3 | 2 | 2 | 21 | 172.316 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 3.57 | -37.1 | 2 | 2 | 1 | 20 | 171.308 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 4.19 | -29.78 | 2 | 2 | 1 | 16 | 171.308 | 5 | ↓ |