UCSF

ZINC69739804

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 30 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) 1.63 5.76 -51.01 3 10 1 140 423.434 4
Hi High (pH 8-9.5) 1.82 4.1 -62.44 1 10 -1 142 421.418 4
Mid Mid (pH 6-8) 1.63 5.24 -28.02 2 10 0 138 422.426 4

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

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