UCSF

ZINC62962747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 No

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) -1.14 -1.33 -146.82 5 4 2 78 206.311 3
Mid Mid (pH 6-8) -1.14 -1.76 -47.31 4 4 1 77 205.303 3
Mid Mid (pH 6-8) -1.14 -2.22 -55.46 4 4 1 74 205.303 3

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

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