UCSF

ZINC53313849

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 30 No

Popular Name: (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[(4S,5R)-6-[2-(4-nitrocyclohexyl)ethylamino]-4,5,7,8-tetrahydropur (2R,3S,4R,5S)-2-(hydroxymethyl)-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.26 -4.47 -41.84 6 12 1 169 427.482 7 ↓
Hi High (pH 8-9.5) -0.26 -4.83 -13.49 5 12 0 168 426.474 7 ↓

Activity (Go SEA)

Rings

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

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