UCSF

ZINC70118106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 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) 1.09 2.46 -63.56 4 6 1 87 260.321 4
Hi High (pH 8-9.5) 1.09 2.23 -19.81 3 6 0 86 259.313 4

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

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