UCSF

ZINC37816505

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.76 7.57 -37.36 2 4 1 46 279.404 8
Hi High (pH 8-9.5) 2.76 6.55 -7.57 1 4 0 42 278.396 8

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Rings

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