UCSF

ZINC69132800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 17 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) 1.14 4.96 -44.17 2 4 1 50 299.192 1
Mid Mid (pH 6-8) 1.14 3.63 -5.22 1 4 0 45 298.184 1

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

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