UCSF

ZINC52883412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 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) 1.80 5.05 -40.6 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 1.80 4.83 -2.44 2 3 0 38 262.397 5
Mid Mid (pH 6-8) 1.80 6.73 -35.31 3 3 1 40 263.405 5
Lo Low (pH 4.5-6) 1.80 6.93 -120.86 4 3 2 41 264.413 5

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

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