UCSF

ZINC69739424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 No

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) 1.21 4.74 -33.64 3 7 1 81 328.433 6
Mid Mid (pH 6-8) 1.21 2.49 -7.94 2 7 0 80 327.425 6

Activity (Go SEA)

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

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