UCSF

ZINC62659158

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 20 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) 2.08 5.07 -42.08 2 5 1 56 292.384 6
Hi High (pH 8-9.5) 2.08 2.56 -11.38 1 5 0 54 291.376 6

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

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