UCSF

ZINC01726789

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 16 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) -1.48 -2.12 -35.15 0 2 1 3 282.205 2
Mid Mid (pH 6-8) -1.48 1.23 -111.5 1 2 2 4 283.213 2

Activity (Go SEA)

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