In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 15 | 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) | 1.20 | 5.13 | -7.62 | 4 | 4 | 0 | 70 | 206.224 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 5.1 | -34.59 | 5 | 4 | 1 | 71 | 207.232 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.