UCSF

ZINC09311686

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 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) 6.05 10.65 -57.74 0 7 -1 103 469.296 5
Ref Reference (pH 7) 6.54 11.18 -20.37 1 7 0 104 470.304 4

Activity (Go SEA)

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