UCSF

ZINC62968047

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 1.84 3.99 -35.85 2 4 1 37 291.415 3
Mid Mid (pH 6-8) 1.84 4.1 -38.67 2 4 1 37 291.415 3
Lo Low (pH 4.5-6) 1.84 6.39 -109.3 3 4 2 38 292.423 3

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

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