In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 10 | Yes |
Popular Name: (1R,2S)-N1-(1,3,4-thiadiazol-2-yl)cyclopropane-1,2-diamine (1R,2S)-N1-(1,3,4-thiadiazol-2-y…
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) | 0.02 | 0.2 | -50.84 | 4 | 4 | 1 | 65 | 157.222 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.02 | -0.14 | -6.47 | 3 | 4 | 0 | 64 | 156.214 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.