UCSF

ZINC53335872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 15 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) 2.23 4.55 -48.16 2 3 1 43 221.305 1
Mid Mid (pH 6-8) 2.23 3.19 -9.12 1 3 0 38 220.297 1

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

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