UCSF

ZINC37321982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 2.69 6.46 -34.75 2 3 1 29 273.4 6
Lo Low (pH 4.5-6) 2.69 8.94 -102.6 3 3 2 30 274.408 6
Lo Low (pH 4.5-6) 2.69 7.99 -31.85 2 3 1 26 273.4 6

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

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