UCSF

ZINC34894449

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 29 No

Popular Name: Dinaciclib Dinaciclib

Find On: PubMed — Wikipedia — Google

CAS Numbers: 779353-01-4 , [779353-01-4]

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) 1.29 9.17 -29.23 2 8 0 91 396.495 7 ↓
Hi High (pH 8-9.5) 2.53 1.38 -10.25 3 5 0 79 281.352 6 ↓

Vendor Notes

Note Type Comments Provided By
Target CDK Selleck Chemicals

Activity (Go SEA)

Rings

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

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