UCSF

ZINC66074601

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 28 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) 0.54 10.06 -54.42 5 6 0 82 442.361 4
Mid Mid (pH 6-8) 0.54 9.95 -36.04 4 6 1 81 441.353 4

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

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