UCSF

ZINC70092188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 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) 2.12 5.39 -14.59 1 3 0 57 216.265 1
Mid Mid (pH 6-8) 2.58 3.97 -45.34 0 3 -1 60 215.257 1

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

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