UCSF

ZINC69774319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

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) 0.15 -0.05 -19.04 1 7 0 81 347.481 5
Mid Mid (pH 6-8) 0.15 2.15 -55.09 2 7 1 82 348.489 5

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

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