UCSF

ZINC52924968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 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) -1.59 -5.64 -52.4 2 8 -1 117 256.238 7
Lo Low (pH 4.5-6) -1.59 -6.36 -19.18 3 8 0 114 257.246 7

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

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