UCSF

ZINC22701036

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 35 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) 4.39 9.19 -76.96 2 7 0 91 499.608 11
Mid Mid (pH 6-8) 4.39 9.13 -54.21 3 7 1 89 500.616 11

Activity (Go SEA)

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

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