UCSF

ZINC35808453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 28 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) 1.53 4.69 -18.16 1 7 0 77 382.416 5
Mid Mid (pH 6-8) 1.71 4.19 -59.56 2 7 1 82 383.424 5

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

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