UCSF

ZINC65513709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 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) 1.71 9.69 -45.3 1 5 1 43 311.409 3
Mid Mid (pH 6-8) 1.71 7.84 -33.82 1 5 1 43 311.409 3
Mid Mid (pH 6-8) 1.71 7.42 -6.13 0 5 0 41 310.401 3
Mid Mid (pH 6-8) 1.71 10.12 -108.33 2 5 2 44 312.417 3

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

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