UCSF

ZINC83291795

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 12 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) -2.88 3.06 -83.2 3 5 -1 108 172.16 3
Mid Mid (pH 6-8) -2.88 0.81 -45.14 4 5 0 105 173.168 3

Activity (Go SEA)

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

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