UCSF

ZINC62964580

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) -1.11 -0.46 -111.17 4 5 2 69 263.407 3
Hi High (pH 8-9.5) -1.11 -3.25 -10.64 2 5 0 67 261.391 3
Mid Mid (pH 6-8) -1.11 -2.84 -61.42 3 5 1 68 262.399 3

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

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