UCSF

ZINC04172614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 26 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) 4.99 12.2 -9.94 1 4 0 39 363.848 5
Mid Mid (pH 6-8) 4.99 12.69 -25.32 2 4 1 40 364.856 5

Activity (Go SEA)

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