In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 19 | 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) | 3.76 | 9.64 | -34.64 | 1 | 3 | 1 | 36 | 271.365 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.76 | 9.22 | -10.11 | 0 | 3 | 0 | 34 | 270.357 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.