UCSF

ZINC62954146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 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) 1.86 5.99 -113.88 3 2 2 21 196.338 1
Hi High (pH 8-9.5) 1.86 1.84 -0.82 1 2 0 15 194.322 1
Hi High (pH 8-9.5) 1.86 3.51 -37.34 2 2 1 20 195.33 1
Mid Mid (pH 6-8) 1.86 4.32 -32.85 2 2 1 16 195.33 1

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

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