UCSF

ZINC20119536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 0.69 3.23 -56.26 3 7 1 97 283.315 2
Mid Mid (pH 6-8) 0.69 3.62 -108.96 4 7 2 98 284.323 2
Mid Mid (pH 6-8) 0.69 1.83 -13.54 2 7 0 93 282.307 2
Mid Mid (pH 6-8) 0.69 2.22 -38.37 3 7 1 94 283.315 2

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

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