UCSF

ZINC62821734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 17 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) 0.37 1.82 -28.73 3 5 1 60 240.327 7
Hi High (pH 8-9.5) 0.37 1.61 -10.47 2 5 0 59 239.319 7
Mid Mid (pH 6-8) 0.37 2.96 -44.19 3 5 1 64 240.327 7
Lo Low (pH 4.5-6) 0.37 3.17 -97.89 4 5 2 65 241.335 7

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

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