In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 32 | 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) | 4.35 | 12.27 | -14.23 | 2 | 7 | 0 | 73 | 495.425 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 11.92 | -33.13 | 3 | 7 | 1 | 75 | 496.433 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 12.82 | -32.17 | 3 | 7 | 1 | 75 | 496.433 | 7 | ↓ |