UCSF

ZINC09422071

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 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) 0.50 2.59 -14.15 2 7 0 95 366.421 7
Ref Reference (pH 7) 0.88 5.78 -17.87 2 7 0 91 366.421 7
Lo Low (pH 4.5-6) 0.50 3.05 -46.66 3 7 1 96 367.429 7
Lo Low (pH 4.5-6) 0.88 6.24 -51.66 3 7 1 93 367.429 7

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

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