UCSF

ZINC67740577

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 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) 0.19 9.22 -57.67 2 9 1 94 371.469 8
Mid Mid (pH 6-8) 0.19 7.17 -17.78 1 9 0 93 370.461 8

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

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