In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2010 | 13 | Yes |
Popular Name: [(3S)-1-(thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine [(3S)-1-(thiazol-4-ylmethyl)pyrr…
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) | 0.22 | 0.22 | -46.76 | 3 | 3 | 1 | 44 | 198.315 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.22 | 2.72 | -102.34 | 4 | 3 | 2 | 45 | 199.323 | 3 | ↓ |