UCSF

ZINC14011364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 21 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) 1.43 2.4 -9.73 3 6 0 95 288.303 5
Mid Mid (pH 6-8) 1.89 -0.73 -43.13 2 6 -1 98 287.295 5
Mid Mid (pH 6-8) 1.89 -0.43 -43.76 2 6 -1 98 287.295 5

Activity (Go SEA)

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

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