In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 18 | 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) | 1.23 | 5.76 | -47.56 | 0 | 5 | -1 | 64 | 255.338 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.23 | 7.97 | -73.01 | 1 | 5 | 0 | 65 | 256.346 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.23 | 5.99 | -45.63 | 2 | 5 | 1 | 62 | 257.354 | 7 | ↓ |