UCSF

ZINC69484906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 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) 1.56 3.58 -43.82 0 6 -1 86 340.384 4
Lo Low (pH 4.5-6) 1.38 5.27 -20.3 1 6 0 79 341.392 4
Lo Low (pH 4.5-6) 1.38 4.01 -10.17 1 6 0 79 341.392 4

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

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