UCSF

ZINC58345355

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 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) -0.80 4.9 -58.73 2 7 1 87 320.417 7
Hi High (pH 8-9.5) -0.80 2.7 -17.01 1 7 0 85 319.409 7

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

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