UCSF

ZINC34648173

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 Yes

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) 4.81 6.78 -6.44 0 3 0 29 364.186 2
Lo Low (pH 4.5-6) 4.81 7.54 -38.83 1 3 0 30 365.194 2

Activity (Go SEA)

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