In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 25 | Yes |
Popular Name: (2S)-N-(4-bromophenyl)-2-[[5-(p-tolyl)-4H-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(4-bromophenyl)-2-[[5-(p-…
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) | 4.85 | 9.9 | -10.77 | 2 | 5 | 0 | 71 | 417.332 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.85 | 9.56 | -46.47 | 1 | 5 | -1 | 69 | 416.324 | 5 | ↓ |