UCSF

ZINC59312736

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2011 29 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) 7.13 12.6 -14.86 2 4 0 58 385.511 7
Lo Low (pH 4.5-6) 7.13 13.02 -31.26 3 4 1 59 386.519 7

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

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