UCSF

ZINC72190224

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2012 44 No

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) 4.72 16.07 -17.4 0 8 0 90 601.629 11
Lo Low (pH 4.5-6) 4.72 16.53 -53.76 1 8 1 91 602.637 11

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

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