In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 25 | 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) | 2.53 | 4.19 | -53.08 | 2 | 8 | 1 | 91 | 347.395 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 1.93 | -16.09 | 1 | 8 | 0 | 90 | 346.387 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.