UCSF

ZINC84549491

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2013 0 No

Other Names:

MFCD00236457

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) -2.52 1.25 -72.56 6 5 1 105 206.291 7
Hi High (pH 8-9.5) -2.52 0.94 -57.01 5 5 0 104 205.283 7

Activity (Go SEA)

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

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