UCSF

ZINC40024534

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 25 No

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) 4.04 8.43 -10.32 1 5 0 59 360.841 7
Mid Mid (pH 6-8) 4.04 10.32 -36.14 2 5 1 60 361.849 7

Activity (Go SEA)

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

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