UCSF

ZINC53338516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 13 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) -0.34 2.29 -43.72 3 4 1 55 182.247 3
Hi High (pH 8-9.5) -0.34 1.9 -7.73 2 4 0 53 181.239 3
Mid Mid (pH 6-8) -0.34 3.18 -26.38 3 4 1 54 182.247 3
Mid Mid (pH 6-8) -0.34 2.57 -112.48 4 4 2 56 183.255 3

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

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