In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 7 | 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) | 1.81 | 3.14 | -7.55 | 0 | 1 | 0 | 14 | 91.113 | 0 | ↓ |
Lo Low (pH 4.5-6) | 1.81 | 3.53 | -27.12 | 1 | 1 | 1 | 15 | 92.121 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.