UCSF

ZINC69238750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 3.45 10.96 -107.85 3 4 2 38 288.439 8
Hi High (pH 8-9.5) 3.45 9.81 -7.67 1 4 0 33 286.423 8
Mid Mid (pH 6-8) 3.45 11.17 -46.64 2 4 1 37 287.431 8

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

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