UCSF

ZINC54669631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 17 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) 1.57 3.11 -46.34 3 4 1 67 230.291 2
Hi High (pH 8-9.5) 1.57 2.71 -7.12 2 4 0 65 229.283 2

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

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