UCSF

ZINC55568778

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 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) 0.58 4.81 -31.18 3 7 0 102 349.431 9

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Rings

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