UCSF

ZINC38139192

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 40 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) 1.09 16.36 -31.45 1 10 1 120 564.981 8
Mid Mid (pH 6-8) 5.00 15.4 -25.03 0 10 0 121 563.973 7

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

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