In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2013 | 34 | No |
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CAS Numbers: 439081-18-2 , 850140-72-6
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) | 4.21 | 10.67 | -49.51 | 3 | 8 | 1 | 90 | 486.955 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.21 | 8.19 | -11.11 | 2 | 8 | 0 | 89 | 485.947 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.