UCSF

ZINC95743646

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 16 Yes

Other Names:

MFCD00910281

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 3.62 -68.24 4 4 1 82 219.264 3
Hi High (pH 8-9.5) -0.76 3.37 -51.48 3 4 0 80 218.256 3

Activity (Go SEA)

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

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