In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 30 | 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 | 4.82 | -45.9 | 2 | 7 | 1 | 76 | 417.436 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 4.79 | -43.22 | 2 | 7 | 1 | 76 | 417.436 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 2.52 | -9.38 | 1 | 7 | 0 | 75 | 416.428 | 7 | ↓ |