UCSF

ZINC62032102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 18 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) -1.25 1.33 -45.2 4 5 1 69 250.322 5
Mid Mid (pH 6-8) -1.25 1.01 -8.7 3 5 0 68 249.314 5

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

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