In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 24 | Yes |
Popular Name: (7S)-7-(4-bromophenyl)-5-(4-ethylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-7-(4-bromophenyl)-5-(4-ethy…
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) | 4.82 | 13.76 | -12.71 | 0 | 4 | 0 | 43 | 381.277 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.82 | 15.11 | -47.08 | 2 | 4 | 1 | 47 | 382.285 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.82 | 14.08 | -35.94 | 1 | 4 | 1 | 45 | 382.285 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.82 | 14.28 | -32.09 | 1 | 4 | 1 | 44 | 382.285 | 3 | ↓ |