UCSF

ZINC41211055

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.65 8.6 -51.84 0 2 -1 40 201.245 1
Lo Low (pH 4.5-6) 2.65 6.59 -5.63 1 2 0 37 202.253 1

Activity (Go SEA)

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

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