In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 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) | -0.08 | 2.18 | -53.32 | 3 | 8 | 1 | 93 | 308.391 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.08 | -0.22 | -42.94 | 1 | 8 | -1 | 90 | 306.375 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.08 | -0.21 | -11.36 | 2 | 8 | 0 | 92 | 307.383 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.