UCSF

ZINC40448193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 No

Other Names:

MFCD08367393

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) 0.80 7.02 -7.74 0 7 0 89 225.595 2
Mid Mid (pH 6-8) 0.80 7.53 -32.83 1 7 1 91 226.603 2

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

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