UCSF

ZINC37108050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 No

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) 2.30 8.24 -41.63 2 2 1 30 266.43 2
Hi High (pH 8-9.5) 2.30 7.22 -4.56 1 2 0 25 265.422 2

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

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