In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2009 | 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) | 1.18 | 3.01 | -55.22 | 2 | 7 | -1 | 115 | 326.379 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 3.12 | -126.65 | 1 | 7 | -2 | 117 | 325.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.