UCSF

ZINC22760621

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 31 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) 2.03 6.25 -16.67 1 10 0 126 483.597 6
Mid Mid (pH 6-8) 2.49 5.14 -41.6 0 10 -1 129 482.589 6

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

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