UCSF

ZINC64548370

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 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) 2.98 5.96 -34.85 2 7 1 64 398.409 8
Mid Mid (pH 6-8) 2.98 8.25 -97.73 3 7 2 65 399.417 8
Mid Mid (pH 6-8) 2.98 6.3 -7.93 1 7 0 63 397.401 8

Activity (Go SEA)

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

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