UCSF

ZINC83304015

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 28 No

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) 4.07 5.91 -13.68 3 7 0 86 384.48 10
Mid Mid (pH 6-8) 4.07 6 -32.51 4 7 0 87 385.488 10

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

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