UCSF

ZINC67225877

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 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) -0.14 6.35 -60.81 2 9 1 94 381.482 7
Mid Mid (pH 6-8) -0.14 4.14 -23.93 1 9 0 93 380.474 7

Activity (Go SEA)

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

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