UCSF

ZINC08718769

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 20 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) 2.11 5.79 -21.76 2 6 0 84 305.388 4
Lo Low (pH 4.5-6) 2.11 6.28 -50.22 3 6 1 85 306.396 4

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

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