UCSF

ZINC69978991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 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) 1.75 4.83 -7.23 0 6 0 51 328.453 6
Mid Mid (pH 6-8) 1.75 5.78 -44.05 1 6 1 52 329.461 6
Mid Mid (pH 6-8) 1.75 5.77 -43.8 1 6 1 52 329.461 6

Activity (Go SEA)

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

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