UCSF

ZINC49550383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 1.48 3.34 -13.85 1 5 0 63 278.315 1
Ref Reference (pH 7) 1.29 5.99 -15.11 1 5 0 60 278.315 1
Lo Low (pH 4.5-6) 1.48 3.77 -38.51 2 5 1 65 279.323 1
Lo Low (pH 4.5-6) 1.29 6.42 -38.88 2 5 1 61 279.323 1

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

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