In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2004 | 23 | Yes |
Popular Name: (7S)-7-(3-chlorophenyl)-5-(p-tolyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-7-(3-chlorophenyl)-5-(p-tol…
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) | 4.20 | 12.88 | -11.93 | 0 | 4 | 0 | 43 | 322.799 | 2 | ↓ |
Ref Reference (pH 7) | 4.20 | 14.05 | -11.35 | 1 | 4 | 0 | 46 | 322.799 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 14.24 | -46.49 | 2 | 4 | 1 | 47 | 323.807 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.20 | 13.2 | -34.97 | 1 | 4 | 1 | 45 | 323.807 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.20 | 13.4 | -30.99 | 1 | 4 | 1 | 44 | 323.807 | 2 | ↓ |