UCSF

ZINC37326553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 No

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) 1.09 0.74 -45.18 1 9 -1 140 301.285 4
Mid Mid (pH 6-8) 1.09 1.72 -91.14 0 9 -2 143 300.277 4
Lo Low (pH 4.5-6) 1.09 0.68 -19.88 2 9 0 138 302.293 4

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

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