UCSF

ZINC37818653

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) -3.08 -0.22 -53.77 4 9 1 121 298.323 5
Hi High (pH 8-9.5) -3.08 -0.63 -14.18 3 9 0 119 297.315 5

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Rings

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