UCSF

ZINC58345535

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 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) 2.25 6.24 -8.83 2 7 0 93 323.784 5
Hi High (pH 8-9.5) 2.32 4.75 -41.12 1 7 -1 99 322.776 5
Mid Mid (pH 6-8) 2.25 6.08 -45.93 1 7 -1 91 322.776 5

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

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