UCSF

ZINC67947043

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 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) 1.28 5.82 -45.63 3 6 1 76 344.435 6
Mid Mid (pH 6-8) 1.28 3.35 -19.32 2 6 0 74 343.427 6

Activity (Go SEA)

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

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