UCSF

ZINC62948744

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 13 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) 1.58 5.14 -100.05 3 2 2 21 184.327 1
Hi High (pH 8-9.5) 1.58 1.71 -0.85 1 2 0 15 182.311 1
Hi High (pH 8-9.5) 1.58 2.97 -36.14 2 2 1 20 183.319 1
Mid Mid (pH 6-8) 1.58 3.88 -29.31 2 2 1 16 183.319 1

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

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