UCSF

ZINC62820462

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 10 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) -0.04 1.19 -26.67 3 3 1 50 139.178 2
Mid Mid (pH 6-8) -0.04 0.8 -9.24 2 3 0 49 138.17 2

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

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