UCSF

ZINC42136683

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 No

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) 1.07 9.04 -54.4 0 9 -1 121 272.2 3
Lo Low (pH 4.5-6) 1.07 9.51 -47.43 1 9 0 122 273.208 3

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

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