UCSF

ZINC41636351

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 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) 1.60 5.57 -58.28 1 7 0 74 333.417 3
Mid Mid (pH 6-8) 1.60 5.45 -32.75 1 7 0 74 333.417 3
Mid Mid (pH 6-8) 1.60 4.88 -41.18 2 7 1 71 334.425 3
Mid Mid (pH 6-8) 1.60 3.2 -47.14 0 7 -1 73 332.409 3

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

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