UCSF

ZINC12231314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 27 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) 1.95 1.28 -10.66 1 8 0 91 364.409 3
Mid Mid (pH 6-8) 1.95 1.47 -33.94 2 8 1 92 365.417 3

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

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