UCSF

ZINC62948582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 2.26 6.23 -105.1 3 2 2 21 198.354 1
Hi High (pH 8-9.5) 2.26 4.33 -36.22 2 2 1 20 197.346 1
Hi High (pH 8-9.5) 2.26 3.08 -0.35 1 2 0 15 196.338 1
Mid Mid (pH 6-8) 2.26 4.98 -30.96 2 2 1 16 197.346 1

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

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