UCSF

ZINC37335083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 1.33 2.28 -33.44 1 6 0 79 289.335 6
Hi High (pH 8-9.5) 1.33 0.15 -38.08 0 6 -1 78 288.327 6
Mid Mid (pH 6-8) 0.87 4.77 -32.29 2 6 1 76 290.343 6

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

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