UCSF

ZINC72099228

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2012 29 Yes

CAS Number: 50-14-6

Other Names:

MFCD00166988

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 7.42 13.68 -2.14 1 1 0 20 396.659 5

Vendor Notes

Note Type Comments Provided By
MP 114 TCI

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

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