UCSF

ZINC69950521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 27 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) 3.29 9.84 -11.14 1 5 0 59 364.445 3
Mid Mid (pH 6-8) 3.29 10.47 -38.51 2 5 1 60 365.453 3

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

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