UCSF

ZINC68900389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 14 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) 1.34 4.76 -38.68 3 3 1 54 194.302 5
Mid Mid (pH 6-8) 1.34 2.56 -5.88 2 3 0 53 193.294 5

Activity (Go SEA)

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

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