UCSF

ZINC70297454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 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) 3.23 7.3 -38.52 3 2 1 31 269.412 3
Lo Low (pH 4.5-6) 3.23 9.07 -110.18 4 2 2 32 270.42 3
Lo Low (pH 4.5-6) 3.23 8.83 -33.94 3 2 1 30 269.412 3

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

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