UCSF

ZINC65507397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.75 6.5 -14.24 0 4 0 46 253.305 2
Lo Low (pH 4.5-6) 1.75 6.55 -31.84 1 4 1 47 254.313 2

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

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