UCSF

ZINC22772742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 3.03 9.3 -36.88 2 4 1 37 352.502 6
Mid Mid (pH 6-8) 3.03 9.3 -36.98 2 4 1 37 352.502 6
Mid Mid (pH 6-8) 3.03 7.05 -7.74 1 4 0 36 351.494 6

Activity (Go SEA)

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

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