UCSF

ZINC79669733

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2012 31 No

CAS Number: [1617-70-5]

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) 8.60 14.65 -4.96 0 1 0 17 424.713 1

Vendor Notes

Note Type Comments Provided By
MP 165-167°C Indofine

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

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