UCSF

ZINC58314854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 27 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) 0.51 8.37 -43.69 2 8 1 84 367.433 5
Mid Mid (pH 6-8) 0.51 9.09 -15.12 1 8 0 83 366.425 5

Activity (Go SEA)

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

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