UCSF

ZINC04062712

Substance Information

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

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) 4.89 1.11 -10.26 0 6 0 74 413.514 9
Mid Mid (pH 6-8) 5.07 -0.16 -11.9 0 6 0 74 413.514 9
Mid Mid (pH 6-8) 4.89 0.75 -14.45 0 6 0 74 413.514 9

Activity (Go SEA)

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