In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2010 | 26 | 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) | 1.27 | 7.9 | -37.86 | 2 | 7 | 1 | 83 | 350.402 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 7.49 | -18.67 | 1 | 7 | 0 | 82 | 349.394 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.