UCSF

ZINC54432357

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 15 Yes

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) -0.42 0.56 -43.01 4 7 1 98 212.233 2
Hi High (pH 8-9.5) -0.42 -1.97 -5.42 3 7 0 97 211.225 2

Activity (Go SEA)

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

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