In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 32 | Yes |
None
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) | 0.70 | 3.01 | -15.68 | 2 | 10 | 0 | 126 | 442.451 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.77 | 2.64 | -63.67 | 2 | 10 | 0 | 134 | 442.451 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 3.95 | -60.28 | 1 | 10 | -1 | 129 | 441.443 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.77 | 1.78 | -45.16 | 3 | 10 | 1 | 131 | 443.459 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.77 | 3.71 | -100.87 | 4 | 10 | 2 | 133 | 444.467 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.77 | 5.65 | -60.04 | 3 | 10 | 1 | 136 | 443.459 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.70 | 4.95 | -52.45 | 3 | 10 | 1 | 128 | 443.459 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.