UCSF

ZINC04927496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 24 Yes

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) 5.01 13.03 -12.42 1 4 0 42 338.773 3
Mid Mid (pH 6-8) 5.01 13.47 -31.93 2 4 1 43 339.781 3

Activity (Go SEA)

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