UCSF

ZINC54788408

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 13 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) -0.52 -1.14 -38.4 1 6 -1 78 195.231 4
Mid Mid (pH 6-8) -0.52 0.22 -41.55 2 6 0 82 196.239 4

Activity (Go SEA)

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

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