UCSF

ZINC26143922

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 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) 2.88 6.12 -12.12 5 7 0 119 364.481 4
Hi High (pH 8-9.5) 2.09 4.2 -51.64 4 7 -1 123 363.473 5
Mid Mid (pH 6-8) 2.95 4.77 -40.72 6 7 1 122 365.489 4

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

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