UCSF

ZINC04062369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 30 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) 4.88 11.74 -19.49 1 6 0 74 413.514 9
Mid Mid (pH 6-8) 5.00 -0.49 -9.05 0 6 0 74 413.514 9

Activity (Go SEA)

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