UCSF

ZINC50905815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 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) 2.53 5.59 -32.65 5 4 1 74 290.431 6
Hi High (pH 8-9.5) 2.53 3.74 -8.43 4 4 0 72 289.423 6
Lo Low (pH 4.5-6) 2.53 5.24 -125.45 6 4 2 75 291.439 6

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

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