UCSF

ZINC52883554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.53 4.98 -41.58 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 2.53 4.89 -2.09 2 3 0 38 262.397 5
Mid Mid (pH 6-8) 2.53 7.24 -33.28 3 3 1 40 263.405 5
Lo Low (pH 4.5-6) 2.53 6.8 -120.93 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.