UCSF

ZINC65528320

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 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) 3.02 7.35 -8.81 1 4 0 45 315.442 3
Lo Low (pH 4.5-6) 3.02 7.68 -34.09 2 4 1 46 316.45 3

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

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