In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 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) | 1.93 | 6.93 | -29.15 | 5 | 4 | 1 | 71 | 239.302 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 6.53 | -10.55 | 4 | 4 | 0 | 70 | 238.294 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.