In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 38 | No |
None
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) | 2.19 | 11.68 | -21.58 | 0 | 12 | 0 | 144 | 535.546 | 15 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 14.08 | -59.83 | 1 | 12 | 1 | 145 | 536.554 | 15 | ↓ |
No pre-computed analogs available. Try a structural similarity search.