In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2010 | 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) | 1.24 | 2.14 | -11.96 | 0 | 9 | 0 | 108 | 366.381 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.24 | 4.36 | -46.37 | 1 | 9 | 1 | 110 | 367.389 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.