In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | Yes |
Popular Name: (2S,3R)-2-amino-3-methyl-1-[(2R)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]pentan-1-one (2S,3R)-2-amino-3-methyl-1-[(2R)…
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) | 1.08 | 4.34 | -44.21 | 3 | 5 | 1 | 74 | 266.365 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.08 | 4.01 | -13.43 | 2 | 5 | 0 | 72 | 265.357 | 4 | ↓ |