UCSF

ZINC36877938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 3.54 7.58 -32.08 4 3 1 56 298.797 3
Mid Mid (pH 6-8) 3.54 7.58 -51.76 4 3 1 56 298.797 3
Mid Mid (pH 6-8) 3.54 7.24 -7.17 3 3 0 55 297.789 3
Lo Low (pH 4.5-6) 3.54 7.88 -120.77 5 3 2 58 299.805 3

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

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