UCSF

ZINC26895431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 21 Yes

Other Names:

MFCD07776657

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) 1.40 5.37 -42.06 0 7 -1 82 286.315 5
Lo Low (pH 4.5-6) 1.40 5.51 -14.14 1 7 0 84 287.323 5

Activity (Go SEA)

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

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