In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 20 | 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) | 1.67 | 4.97 | -49.27 | 2 | 4 | 1 | 40 | 280.436 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 5.77 | -46 | 2 | 4 | 1 | 37 | 280.436 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 3.55 | -7.2 | 1 | 4 | 0 | 36 | 279.428 | 2 | ↓ |