UCSF

ZINC67964917

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.77 10.52 -36.43 2 5 1 51 382.919 4
Hi High (pH 8-9.5) 3.77 10.01 -8.36 1 5 0 50 381.911 4
Mid Mid (pH 6-8) 3.77 12.73 -114 3 5 2 52 383.927 4
Mid Mid (pH 6-8) 3.77 12.22 -48.23 2 5 1 51 382.919 4

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

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