UCSF

ZINC54864185

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 0.88 6.35 -42.88 3 3 1 44 252.407 1
Hi High (pH 8-9.5) 0.88 6.03 -5.59 2 3 0 42 251.399 1
Mid Mid (pH 6-8) 0.88 5.79 -94.05 4 3 2 45 253.415 1

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

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