UCSF

ZINC05800766

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 29 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) 4.64 11.39 -59.81 0 4 -1 60 386.402 4
Mid Mid (pH 6-8) 5.08 2.33 -24.22 1 4 0 57 387.41 3

Activity (Go SEA)

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