In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 14 | Yes |
Popular Name: (2S)-N1-[(3R)-1-cyclopropylpyrrolidin-3-yl]butane-1,2-diamine (2S)-N1-[(3R)-1-cyclopropylpyrro…
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) | 0.35 | 3.14 | -90.64 | 5 | 3 | 2 | 44 | 199.342 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.35 | 0.86 | -40.1 | 4 | 3 | 1 | 43 | 198.334 | 5 | ↓ |