In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2010 | 19 | Yes |
Popular Name: (2R)-2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanyl-butanenitrile (2R)-2-amino-2-methyl-4-(1-pheny…
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 | 4.46 | -12.78 | 2 | 6 | 0 | 93 | 274.353 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 4.73 | -58.62 | 3 | 6 | 1 | 95 | 275.361 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.