In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 30 | 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) | 4.10 | 14.11 | -19.77 | 0 | 7 | 0 | 62 | 403.486 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 14.59 | -39.78 | 1 | 7 | 1 | 63 | 404.494 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.