UCSF

ZINC66148369

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 36 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) 4.20 11.61 -58.24 2 9 1 85 554.469 8
Mid Mid (pH 6-8) 4.20 9.41 -19.34 1 9 0 84 553.461 8

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

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