In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 18 | 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) | 2.59 | 6.26 | -6.34 | 1 | 3 | 0 | 38 | 307.191 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 6.67 | -35.01 | 2 | 3 | 1 | 39 | 308.199 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.