In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 17 | 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) | 0.82 | 3.4 | -47.08 | 2 | 4 | 1 | 40 | 240.371 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 4.2 | -45.26 | 2 | 4 | 1 | 37 | 240.371 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 1.98 | -7.22 | 1 | 4 | 0 | 36 | 239.363 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.82 | 5.62 | -114.86 | 3 | 4 | 2 | 41 | 241.379 | 3 | ↓ |