UCSF

ZINC61418703

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 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) 2.27 7.61 -27.72 2 4 1 44 281.383 5
Mid Mid (pH 6-8) 2.27 7.19 -8.54 1 4 0 43 280.375 5
Lo Low (pH 4.5-6) 2.27 9.16 -99.55 3 4 2 49 282.391 5
Lo Low (pH 4.5-6) 2.27 8.7 -37.41 2 4 1 47 281.383 5

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

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