In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 33 | 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) | 0.38 | 4.83 | -55.44 | 1 | 10 | 1 | 93 | 456.523 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.38 | 4.9 | -54.43 | 1 | 10 | 1 | 93 | 456.523 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.38 | 2.58 | -15.96 | 0 | 10 | 0 | 92 | 455.515 | 5 | ↓ |