UCSF

ZINC20002681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 No

Other Names:

MFCD03827647

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) -0.76 9.93 -33.66 2 8 1 112 433.469 4
Hi High (pH 8-9.5) 1.71 9.73 -23.02 1 8 0 110 432.461 4

Activity (Go SEA)

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

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