UCSF

ZINC27316777

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 16 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) -0.69 -1.82 -53.26 2 7 -1 112 240.268 1
Lo Low (pH 4.5-6) -0.51 -1.42 -34.28 3 7 0 114 241.276 1

Activity (Go SEA)

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

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