UCSF

ZINC67172596

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 17 No

Other Names:

MFCD19705671

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) 0.39 0.22 -8.93 3 7 0 99 235.247 5
Lo Low (pH 4.5-6) 0.39 0.69 -36.79 4 7 1 100 236.255 5

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

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