In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[[(2S,3R)-2-amino-3-methyl-pentanoyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(2S,3R)-2-amino-3-methy…
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) | 0.90 | 4.49 | -56.23 | 4 | 5 | 0 | 97 | 284.381 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.90 | 4.16 | -48.59 | 3 | 5 | -1 | 95 | 283.373 | 7 | ↓ |