UCSF

ZINC13781839

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 15 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) 0.42 2.91 -13.46 1 4 0 55 204.229 3
Lo Low (pH 4.5-6) 0.42 3.19 -39.82 2 4 1 56 205.237 3

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

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