UCSF

ZINC29594294

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 18 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) 0.10 3.64 -12.89 2 7 0 85 250.258 5
Mid Mid (pH 6-8) 0.10 4.12 -40.67 3 7 1 87 251.266 5

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

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