UCSF

ZINC84758964

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2013 10 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) -1.38 -0.29 -142.42 1 6 -2 110 168.041 3
Lo Low (pH 4.5-6) -1.38 -1.44 -53.57 2 6 -1 107 169.049 3

Activity (Go SEA)

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

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