In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 16 | No |
Popular Name: 2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]pyridine-3-carbothioamide 2-[methyl-[(3R)-tetrahydrothioph…
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) | 1.54 | 5.58 | -10.67 | 2 | 3 | 0 | 42 | 253.396 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.54 | 5.63 | -41.48 | 3 | 3 | 1 | 43 | 254.404 | 3 | ↓ |