UCSF

ZINC49916715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

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) 0.88 -0.17 -12.35 3 9 0 133 428.42 5
Mid Mid (pH 6-8) 0.88 1.44 -51.65 4 9 1 128 429.428 5
Mid Mid (pH 6-8) 0.88 -0.11 -12.54 3 9 0 133 428.42 5

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

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