UCSF

ZINC72316335

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2012 32 Yes

CAS Number: 1211441-98-3

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) 2.68 11.55 -57.69 3 9 1 96 435.556 5
Hi High (pH 8-9.5) 2.68 10.26 -15.84 2 9 0 91 434.548 5
Lo Low (pH 4.5-6) 2.68 11.46 -103.62 4 9 2 97 436.564 5

Vendor Notes

Note Type Comments Provided By
Target CDK Selleck Chemicals

Activity (Go SEA)

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

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