UCSF

ZINC69667789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 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) 1.45 8.68 -13.43 1 3 0 34 197.307 4
Mid Mid (pH 6-8) 2.18 8.84 -46.98 0 3 -1 31 196.299 4

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

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