UCSF

ZINC52951178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 17 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) -0.11 1.44 -34.22 1 8 -1 109 237.195 2
Lo Low (pH 4.5-6) -0.11 1.59 -17.02 2 8 0 111 238.203 2

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

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