UCSF

ZINC11917465

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 26 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 0.39 -9.74 1 4 0 55 364.832 2
Lo Low (pH 4.5-6) 4.81 0.68 -32.47 2 4 1 56 365.84 2

Activity (Go SEA)

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