UCSF

ZINC19439694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 0.31 0.57 -42.86 3 5 1 58 256.37 4
Hi High (pH 8-9.5) 0.31 -0.68 -11.25 2 5 0 54 255.362 4
Mid Mid (pH 6-8) 0.31 2.91 -95.71 4 5 2 59 257.378 4

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

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