In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 18 | Yes |
Popular Name: (2S,3S)-N-[(R)-cyclopentyl(2-thienyl)methyl]-3-methyl-pentan-2-amine (2S,3S)-N-[(R)-cyclopentyl(2-thi…
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) | 5.32 | 9.62 | -33.76 | 2 | 1 | 1 | 17 | 266.474 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.32 | 8.63 | -0.91 | 1 | 1 | 0 | 12 | 265.466 | 6 | ↓ |