UCSF

ZINC90408726

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2013 30 Yes

Popular Name: Ispinesib Ispinesib

Find On: PubMed — Wikipedia — Google

CAS Number: [336113-53-2]

Other Names:

MFCD13184795

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) 2.94 9.07 -46.05 4 6 1 94 427.956 7 ↓
Mid Mid (pH 6-8) 2.94 8.38 -54.75 4 6 1 94 427.956 7 ↓
Mid Mid (pH 6-8) 3.40 6.91 -42.87 3 6 0 97 426.948 7 ↓

Activity (Go SEA)

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

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