UCSF

ZINC04934548

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 4.66 10.18 -53.8 0 4 -1 60 386.83 6
Mid Mid (pH 6-8) 5.10 0.93 -26.72 1 4 0 57 387.838 5
Mid Mid (pH 6-8) 4.07 1.21 -19.96 0 4 0 54 387.838 6

Activity (Go SEA)

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