UCSF

ZINC22765465

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 2.64 6.88 -39.01 2 4 1 37 324.514 7
Mid Mid (pH 6-8) 2.64 6.5 -37.81 2 4 1 37 324.514 7
Mid Mid (pH 6-8) 2.64 4.93 -6.91 1 4 0 36 323.506 7

Activity (Go SEA)

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

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