UCSF

ZINC23359664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 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) 2.41 6.97 -23.8 2 7 0 97 336.417 7
Mid Mid (pH 6-8) 2.47 5.79 -46.96 1 7 -1 103 335.409 7

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

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