UCSF

ZINC61703601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 21 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) 3.26 6.71 -41.08 2 3 1 39 297.3 6
Hi High (pH 8-9.5) 3.26 5.6 -4.24 1 3 0 34 296.292 6
Lo Low (pH 4.5-6) 3.26 7.22 -112.86 3 3 2 40 298.308 6

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

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