UCSF

ZINC54931425

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 11 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) 0.15 -0.41 -39.79 2 3 1 29 157.237 1
Mid Mid (pH 6-8) 0.15 -2.09 -2.55 1 3 0 24 156.229 1

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

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