UCSF

ZINC37228820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.22 7.49 -37.66 2 4 1 37 294.463 6
Lo Low (pH 4.5-6) 2.22 8.65 -109.23 3 4 2 41 295.471 6

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

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