UCSF

ZINC21537280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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) 1.59 6.9 -28.43 2 10 0 127 429.487 6
Hi High (pH 8-9.5) 2.23 5.14 -106.41 0 10 -2 137 427.471 6

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

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