In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 20 | 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) | 3.65 | 8.75 | -47.18 | 0 | 3 | -1 | 53 | 266.251 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.65 | 9.21 | -48.86 | 1 | 3 | 0 | 54 | 267.259 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.