In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 23 | Yes |
Popular Name: 3-cyano-N-(2-diethylaminoethyl)-N-isobutyl-benzenesulfonamide 3-cyano-N-(2-diethylaminoethyl)-…
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) | 2.89 | 8.47 | -50.95 | 1 | 5 | 1 | 66 | 338.497 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.89 | 6.8 | -10.22 | 0 | 5 | 0 | 64 | 337.489 | 9 | ↓ |