UCSF

ZINC67677731

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2011 25 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) 2.78 9.74 -106.89 4 4 2 51 342.531 5
Lo Low (pH 4.5-6) 2.78 10.03 -173.2 5 4 3 52 343.539 5

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

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