UCSF

ZINC29078486

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 27 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) 2.94 6.84 -34.15 4 7 1 90 369.445 9
Hi High (pH 8-9.5) 2.94 6.48 -18.31 3 7 0 89 368.437 9

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

No pre-computed analogs available. Try a structural similarity search.