In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (3S)-N,1-diisopropyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine (3S)-N,1-diisopropyl-3-(4,5,6,7-…
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) | 3.16 | 7.27 | -30.74 | 2 | 3 | 1 | 29 | 308.515 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.16 | 4.9 | -4.76 | 1 | 3 | 0 | 28 | 307.507 | 4 | ↓ |