In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 31 | No |
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) | 1.38 | 9.64 | -43.47 | 2 | 10 | 1 | 109 | 434.517 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 9.26 | -12.21 | 1 | 10 | 0 | 108 | 433.509 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.