UCSF

ZINC71564985

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.94 9.33 -59.19 0 7 -1 101 436.531 9
Mid Mid (pH 6-8) 2.94 9.04 -19.8 1 7 0 99 437.539 9

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

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