UCSF

ZINC60021717

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 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) 3.80 10.58 -54.72 2 4 1 37 350.486 4
Hi High (pH 8-9.5) 3.80 8.33 -9.33 1 4 0 36 349.478 4

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

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