In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2010 | 25 | No |
Popular Name: 2,5-dichloro-N-[[(3S)-4-(3-chlorophenyl)-5-thioxo-3H-1,2,4-triazol-3-yl]methyl]benzamide 2,5-dichloro-N-[[(3S)-4-(3-chlor…
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) | 4.29 | 10.31 | -43.22 | 1 | 5 | -1 | 60 | 412.709 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.57 | 10.53 | -12.2 | 2 | 5 | 0 | 63 | 413.717 | 4 | ↓ |