UCSF

ZINC37816570

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.01 1.87 -41.24 5 7 1 117 294.331 8
Hi High (pH 8-9.5) 0.01 1.52 -16.41 4 7 0 116 293.323 8

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Rings

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