UCSF

ZINC35720465

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) -0.07 2.27 -50.1 2 6 -1 98 239.251 4
Lo Low (pH 4.5-6) -0.07 0.13 -11.49 3 6 0 95 240.259 4

Activity (Go SEA)

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