UCSF

ZINC00001851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

CAS Number: 106730-54-5

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) 1.55 5.55 -53.58 1 5 0 74 250.261 0
Mid Mid (pH 6-8) 1.55 1.9 -50.36 2 5 1 75 251.269 1

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

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