UCSF

ZINC62949076

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) 0.96 2.32 -36.12 2 3 1 29 199.318 1
Mid Mid (pH 6-8) 0.96 1.05 -1.91 1 3 0 24 198.31 1
Mid Mid (pH 6-8) 0.96 3.09 -31.59 2 3 1 26 199.318 1
Lo Low (pH 4.5-6) 0.96 4.36 -106.18 3 3 2 30 200.326 1

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

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