UCSF

ZINC61497563

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 18 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) 0.18 0.41 -46.27 3 5 1 80 244.274 3
Hi High (pH 8-9.5) 0.18 0.08 -7.48 2 5 0 78 243.266 3

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

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