In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 27 | 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) | -0.86 | 6.18 | -40.79 | 1 | 10 | 0 | 124 | 385.409 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.79 | 4.16 | -75.4 | 0 | 10 | -1 | 130 | 384.401 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.