In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 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) | 2.20 | 4.19 | -33.28 | 2 | 2 | 1 | 20 | 183.319 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 6.01 | -105.86 | 3 | 2 | 2 | 21 | 184.327 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 4.81 | -29.81 | 2 | 2 | 1 | 16 | 183.319 | 1 | ↓ |