UCSF

ZINC64548903

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 27 Yes

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

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) -4.10 -3.73 -175.68 11 10 3 171 393.505 6 ↓
Hi High (pH 8-9.5) -4.10 -4.93 -42.74 9 10 1 168 391.489 6 ↓
Mid Mid (pH 6-8) -4.10 -4.58 -117.03 10 10 2 170 392.497 6 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.