In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 25 | Yes |
Popular Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide N-[4-methoxy-3-(4-methylpiperazi…
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) | 2.68 | 6.44 | -43.76 | 2 | 6 | 1 | 63 | 362.475 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 4.14 | -47.63 | 0 | 6 | -1 | 64 | 360.459 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 4.09 | -9.51 | 1 | 6 | 0 | 62 | 361.467 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1998027081A1 | IBM Patent Data |