UCSF

ZINC70292098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 19 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) 2.22 6.17 -48.88 3 3 1 48 261.389 1
Hi High (pH 8-9.5) 2.22 6.23 -7.02 2 3 0 46 260.381 1

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

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