In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 21 | Yes |
Popular Name: 1-(4-cyanophenyl)-N-[3-(hydroxymethyl)phenyl]methanesulfonamide 1-(4-cyanophenyl)-N-[3-(hydroxym…
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) | 1.83 | 2.75 | -16.33 | 2 | 5 | 0 | 90 | 302.355 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 2.92 | -45.09 | 1 | 5 | -1 | 92 | 301.347 | 5 | ↓ |