UCSF

ZINC37212841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.07 5.61 -108.32 3 4 2 34 283.46 6
Mid Mid (pH 6-8) 2.07 3.35 -41.26 2 4 1 32 282.452 6
Mid Mid (pH 6-8) 2.07 6.7 -85.12 3 4 2 30 283.46 6
Lo Low (pH 4.5-6) 2.07 7.88 -204.38 4 4 3 35 284.468 6

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

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