UCSF

ZINC19366854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 1.85 7.29 -140.71 5 6 2 83 371.909 10
Mid Mid (pH 6-8) 1.85 6.34 -45.64 4 6 1 78 370.901 10

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

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