In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 13 | No |
Popular Name: (2R)-3-amino-2-methyl-N-(1,3,4-thiadiazol-2-yl)-3-thioxo-propanamide (2R)-3-amino-2-methyl-N-(1,3,4-t…
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) | -0.51 | 0.55 | -23.45 | 3 | 5 | 0 | 81 | 216.291 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.32 | -0.75 | -53.64 | 2 | 5 | -1 | 87 | 215.283 | 3 | ↓ |