In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 33 | 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) | 2.52 | 5.38 | -55.27 | 2 | 9 | 1 | 108 | 493.631 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 3.12 | -59.63 | 0 | 9 | -1 | 109 | 491.615 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 5.49 | -79.45 | 1 | 9 | 0 | 110 | 492.623 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 3.01 | -20.03 | 1 | 9 | 0 | 107 | 492.623 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.