UCSF

ZINC36867674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 Yes

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) -0.72 -1.07 -10.11 3 8 0 108 208.181 2
Mid Mid (pH 6-8) -0.26 -2.72 -40.26 2 8 -1 112 207.173 2

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

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