UCSF

ZINC04736945

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 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) 3.24 8.01 -19.16 1 6 0 65 379.46 8
Mid Mid (pH 6-8) 3.72 -1.07 -38.3 1 6 1 65 380.468 8

Activity (Go SEA)

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