UCSF

ZINC36638857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 Yes

Other Names:

MFCD12968410

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) 4.16 8.01 -20.07 1 5 0 72 348.468 5
Hi High (pH 8-9.5) 3.98 7.54 -60.4 0 5 -1 70 347.46 6

Activity (Go SEA)

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

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