UCSF

ZINC62824199

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 20 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) 2.72 5.89 -124.72 0 6 -2 93 404.185 4
Mid Mid (pH 6-8) 2.72 5.88 -50.75 1 6 -1 91 405.193 4

Activity (Go SEA)

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

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