UCSF

ZINC27557985

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 33 No

CAS Number: [86541-78-8]

Other Names:

MFCD00864465

MFCD08060091

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) 1.39 11.85 -100.66 2 9 -1 143 453.471 11
Mid Mid (pH 6-8) 1.39 10.84 -118.86 1 9 -2 139 452.463 11

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

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