UCSF

ZINC19802335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 Yes

Other Names:

MFCD00837400

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) 6.03 13.59 -40.79 1 2 1 8 399.599 3
Hi High (pH 8-9.5) 6.03 11.31 -3.41 0 2 0 6 398.591 3

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

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