In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 28 | 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) | 0.28 | 2.6 | -15.22 | 2 | 9 | 0 | 106 | 388.424 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 4.86 | -56.18 | 3 | 9 | 1 | 107 | 389.432 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.