UCSF

ZINC52812937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 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) 0.55 1.71 -27.98 4 5 1 71 224.284 3
Mid Mid (pH 6-8) 0.55 1.35 -6.67 3 5 0 69 223.276 3

Activity (Go SEA)

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

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