UCSF

ZINC69139760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 11 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) -0.30 -0.34 -56.34 3 3 1 62 176.261 0
Mid Mid (pH 6-8) -0.30 -0.65 -11.49 2 3 0 60 175.253 0

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

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