UCSF

ZINC58538333

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 35 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) 3.70 3.79 -52.76 3 9 -1 132 492.34 5
Lo Low (pH 4.5-6) 3.25 6.01 -14.27 4 9 0 129 493.348 5

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

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