UCSF

ZINC22699035

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 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) 4.10 7.68 -17.49 1 7 0 83 476.668 6
Mid Mid (pH 6-8) 4.10 9.9 -50.04 2 7 1 84 477.676 6

Activity (Go SEA)

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

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