In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 8th, 2011 | 23 | Yes |
Popular Name: N-[(5R)-3-phenyl-4,5-dihydro-1,2,4-thiadiazol-5-yl]-1H-benzotriazole-5-carboxamide N-[(5R)-3-phenyl-4,5-dihydro-1,2…
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) | 1.41 | 3.34 | -42.15 | 4 | 7 | 1 | 97 | 325.377 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 2.92 | -42.94 | 2 | 7 | -1 | 93 | 323.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.