In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 35 | 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) | 1.20 | 2.38 | -15.29 | 1 | 9 | 0 | 84 | 493.645 | 12 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 4.71 | -43.66 | 2 | 9 | 1 | 85 | 494.653 | 12 | ↓ |
Lo Low (pH 4.5-6) | 1.20 | 6.97 | -112.78 | 3 | 9 | 2 | 86 | 495.661 | 12 | ↓ |