In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 20 | Yes |
Popular Name: 4-bromo-2-chloro-N-[(3R)-1-ethyl-3-piperidyl]benzenesulfonamide 4-bromo-2-chloro-N-[(3R)-1-ethyl…
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) | 3.22 | 5.74 | -41.68 | 2 | 4 | 1 | 51 | 382.731 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 5.55 | -36.24 | 1 | 4 | 0 | 53 | 381.723 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 3.52 | -6.27 | 1 | 4 | 0 | 49 | 381.723 | 4 | ↓ |