UCSF

ZINC61320746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 16 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) -0.19 2.65 -33.17 2 5 1 57 218.284 4
Mid Mid (pH 6-8) -0.19 2.19 -9.87 1 5 0 56 217.276 4
Lo Low (pH 4.5-6) -0.19 4.01 -112.28 3 5 2 61 219.292 4

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

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