UCSF

ZINC55060731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 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) 1.01 2.64 -47.05 3 5 1 64 283.421 7
Hi High (pH 8-9.5) 1.01 1.28 -7.86 2 5 0 59 282.413 7
Lo Low (pH 4.5-6) 1.01 4.08 -116.9 4 5 2 68 284.429 7

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

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