UCSF

ZINC65151854

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 36 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) 3.22 14.32 -17.35 1 9 0 88 485.592 8
Mid Mid (pH 6-8) 3.22 14.21 -49.83 2 9 1 89 486.6 8

Activity (Go SEA)

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

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