In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 31 | No |
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) | 0.85 | -0.23 | -13.3 | 2 | 9 | 0 | 117 | 425.42 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 0.58 | -53.71 | 1 | 9 | -1 | 120 | 424.412 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 0.95 | -38.47 | 3 | 9 | 1 | 119 | 426.428 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 3.06 | -97.21 | 4 | 9 | 2 | 120 | 427.436 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.