UCSF

ZINC38966307

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 28 No

Popular Name: (5S)-5-[(3R)-3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-4-[(E)-(3,4,5-trimethoxyphenyl)methyleneam (5S)-5-[(3R)-3,4,5,6-tetrahydroc…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.19 4.36 -43.81 1 9 -1 92 401.472 6 ↓
Mid Mid (pH 6-8) 2.19 4.34 -15.29 2 9 0 94 402.48 6 ↓

Activity (Go SEA)

Rings

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

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