UCSF

ZINC40447698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 30 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) 3.43 10.88 -43.49 0 5 -1 86 439.944 6
Mid Mid (pH 6-8) 4.18 11.63 -32.04 1 5 0 79 440.952 7

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

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