UCSF

ZINC18942026

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2008 25 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) 2.47 4.96 -15.36 1 6 0 62 367.877 5
Lo Low (pH 4.5-6) 2.47 7.14 -48.35 2 6 1 63 368.885 5

Activity (Go SEA)

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

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