UCSF

ZINC87493163

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 50 No

CAS Number: 752-61-4

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) -0.67 -3.44 -19.12 7 14 0 214 712.83 7

Vendor Notes

Note Type Comments Provided By
Patent Database Links US2007184076 ChEBI

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

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