UCSF

ZINC54796815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 20 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) 0.80 7.02 -78.9 4 6 2 64 278.404 8
Hi High (pH 8-9.5) 0.80 4.36 -8.93 2 6 0 62 276.388 8
Mid Mid (pH 6-8) 0.80 6.52 -39.83 3 6 1 63 277.396 8

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

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