UCSF

ZINC65595935

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 24 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) 1.17 4.95 -38.68 1 7 1 74 324.364 3
Mid Mid (pH 6-8) 1.17 7.3 -49.36 1 7 1 74 324.364 3
Mid Mid (pH 6-8) 1.17 5 -16.19 0 7 0 73 323.356 3

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

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