In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2011 | 24 | 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) | 1.87 | 4.32 | -19 | 1 | 7 | 0 | 103 | 327.292 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 5.18 | -57.25 | 0 | 7 | -1 | 106 | 326.284 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.