UCSF

ZINC55084634

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 21 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) 3.86 9.79 -41.8 1 4 1 33 305.833 3
Hi High (pH 8-9.5) 3.86 7.95 -7.2 0 4 0 32 304.825 3

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

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