In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2005 | 21 | No |
Popular Name: 7-butyl-3-(4-nitrophenyl)-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 7-butyl-3-(4-nitrophenyl)-6-thia…
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) | 3.68 | 1.29 | -11.9 | 0 | 6 | 0 | 76 | 302.359 | 5 | ↓ |