In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 21 | 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) | 0.76 | 7.26 | -58.52 | 1 | 7 | 0 | 92 | 308.363 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.76 | 5.35 | -57.12 | 0 | 7 | -1 | 91 | 307.355 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.