UCSF

ZINC37098632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.38 6.71 -41.69 1 4 0 58 197.234 5
Hi High (pH 8-9.5) 1.38 4.35 -50.83 0 4 -1 57 196.226 5

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Rings

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