UCSF

ZINC02085242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 31 No

Other Names:

MFCD03861741

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) 4.41 -6.5 -20.45 2 9 0 138 481.939 7
Hi High (pH 8-9.5) 4.41 -5.99 -52.65 1 9 -1 140 480.931 7
Hi High (pH 8-9.5) 4.41 6.74 -99.35 0 9 -2 142 479.923 7

Activity (Go SEA)

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

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