In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 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) | 2.53 | 8.88 | -35.13 | 1 | 3 | 1 | 21 | 288.459 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 10.65 | -105.74 | 2 | 3 | 2 | 22 | 289.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.