UCSF

ZINC19434892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) -0.11 2.21 -51.86 2 5 1 49 256.37 2
Mid Mid (pH 6-8) -0.11 0.78 -8.63 1 5 0 45 255.362 2
Lo Low (pH 4.5-6) -0.11 4.06 -98.26 3 5 2 51 257.378 2

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

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