UCSF

ZINC04889393

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 25 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) 0.20 3.66 -18.81 1 9 0 114 345.311 5
Ref Reference (pH 7) 0.20 3.65 -19.17 1 9 0 114 345.311 5
Ref Reference (pH 7) 0.20 3.54 -22.76 1 9 0 114 345.311 5
Ref Reference (pH 7) 0.20 3.54 -23.76 1 9 0 114 345.311 5

Activity (Go SEA)

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