In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2011 | 14 | 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) | -0.28 | 2.88 | -168.17 | 7 | 3 | 3 | 60 | 202.366 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.28 | 2.49 | -87.41 | 6 | 3 | 2 | 58 | 201.358 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.28 | 0.64 | -91.65 | 6 | 3 | 2 | 59 | 201.358 | 6 | ↓ |