UCSF

ZINC37716222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 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) 0.91 0.65 -13.94 2 6 0 79 352.243 4
Hi High (pH 8-9.5) 0.91 0.33 -49.77 1 6 -1 81 351.235 4
Mid Mid (pH 6-8) 0.91 1.94 -56.08 3 6 1 83 353.251 4

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

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