In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 19 | 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) | 1.73 | 5.79 | -10.49 | 0 | 4 | 0 | 30 | 259.353 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 8.06 | -49.67 | 1 | 4 | 1 | 31 | 260.361 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 8.5 | -91.15 | 2 | 4 | 2 | 33 | 261.369 | 4 | ↓ |