UCSF

ZINC67560929

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 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) 0.71 3.17 -33.49 3 6 1 80 288.327 4
Hi High (pH 8-9.5) 0.71 3.64 -54.23 1 6 -1 81 286.311 4
Mid Mid (pH 6-8) 0.71 2.88 -12.89 2 6 0 79 287.319 4

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

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