In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2010 | 14 | Yes |
Popular Name: (2S)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-2-amine (2S)-N-[2-(1,3,4-thiadiazol-2-yl…
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) | 2.80 | 4.92 | -42.89 | 2 | 3 | 1 | 42 | 232.398 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 3.74 | -6.09 | 1 | 3 | 0 | 38 | 231.39 | 7 | ↓ |