UCSF

ZINC12381031

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 29 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) 2.62 6.46 -95.75 0 8 -2 124 412.785 5
Ref Reference (pH 7) 2.62 6.32 -94.38 0 8 -2 124 412.785 5
Lo Low (pH 4.5-6) 2.17 9 -51.8 1 8 -1 121 413.793 5

Activity (Go SEA)

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