UCSF

ZINC04499990

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 25 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) 1.97 2.52 -50.96 2 8 -1 119 360.35 5
Hi High (pH 8-9.5) 2.15 2.78 -40.66 2 8 -1 118 360.35 4
Mid Mid (pH 6-8) 1.97 2.49 -126.11 1 8 -2 117 359.342 5

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

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