In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 27 | 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) | -0.28 | 7.29 | -53.57 | 2 | 9 | 1 | 93 | 374.469 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.28 | 4.94 | -14.06 | 1 | 9 | 0 | 92 | 373.461 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.