UCSF

ZINC04060644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 30 No

Other Names:

MFCD00770908

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.53 1.41 -9.36 0 6 0 74 413.514 7
Mid Mid (pH 6-8) 4.53 1.32 -12.82 0 6 0 74 413.514 7
Mid Mid (pH 6-8) 4.71 0.23 -10.31 0 6 0 74 413.514 7

Activity (Go SEA)

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