UCSF

ZINC19996059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 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) 4.16 7.48 -22.23 2 7 0 101 435.6 5
Mid Mid (pH 6-8) 4.62 6.11 -53.31 1 7 -1 104 434.592 5

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

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