In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 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) | 2.72 | 8.99 | -102.54 | 3 | 3 | 2 | 24 | 289.467 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 8.95 | -41.35 | 2 | 3 | 1 | 23 | 288.459 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.