In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 13 | 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) | 1.04 | 2.55 | -43.53 | 2 | 3 | 1 | 39 | 199.299 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 1.36 | -5.2 | 1 | 3 | 0 | 34 | 198.291 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.