In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 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) | 3.17 | 7.95 | -9.88 | 2 | 3 | 0 | 44 | 265.36 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 8.45 | -23.7 | 3 | 3 | 1 | 45 | 266.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.