UCSF

ZINC58392564

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 21 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) 0.41 -1.87 -17.91 3 8 0 109 309.351 4
Mid Mid (pH 6-8) 0.41 -1.15 -54.39 2 8 -1 112 308.343 4

Activity (Go SEA)

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

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