UCSF

ZINC41513306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 1.97 1.74 -10.33 1 5 0 63 295.722 2
Hi High (pH 8-9.5) 1.97 2.33 -39.3 0 5 -1 66 294.714 2
Lo Low (pH 4.5-6) 1.97 4.03 -49.73 2 5 1 64 296.73 2

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

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