In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 16 | Yes |
Popular Name: 5-(aminomethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[[(2S…
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) | 1.40 | 3.63 | -44.83 | 3 | 4 | 1 | 53 | 242.368 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 3.23 | -7.55 | 2 | 4 | 0 | 51 | 241.36 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.