UCSF

ZINC16682757

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 31 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) 5.39 11.26 -12.93 0 6 0 64 439.943 6
Lo Low (pH 4.5-6) 5.39 13.55 -53.4 1 6 1 65 440.951 6

Activity (Go SEA)

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