UCSF

ZINC37205187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) -0.24 3.74 -11.07 3 4 0 68 262.313 3
Mid Mid (pH 6-8) -0.24 4.1 -53.43 4 4 1 69 263.321 3
Mid Mid (pH 6-8) -0.24 4.21 -41.98 4 4 1 69 263.321 3
Mid Mid (pH 6-8) -0.24 4.55 -116.33 5 4 2 70 264.329 3

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

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