UCSF

ZINC22111161

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 13 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) 0.05 3.73 -39.4 1 6 -1 70 177.191 3
Mid Mid (pH 6-8) 0.05 3.85 -11.74 2 6 0 71 178.199 3

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

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