UCSF

ZINC40163236

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 38 No

Popular Name: (2R)-4-amino-N-[(1S,2S,3R,4R,5R)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]o (2R)-4-amino-N-[(1S,2S,3R,4R,5R)…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -5.83 -13.71 -423.77 21 16 5 305 557.666 10 ↓
Hi High (pH 8-9.5) -5.83 -14.62 -183.58 19 16 3 302 555.65 10 ↓
Hi High (pH 8-9.5) -5.83 -14.42 -215.17 19 16 3 302 555.65 10 ↓
Hi High (pH 8-9.5) -5.83 -14.93 -118.97 18 16 2 301 554.642 10 ↓
Mid Mid (pH 6-8) -5.83 -14.14 -304.52 20 16 4 304 556.658 10 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )