UCSF

ZINC09193135

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 35 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) -0.71 12.78 -32.84 3 8 1 106 465.537 5
Lo Low (pH 4.5-6) -0.71 13.21 -87.77 4 8 2 108 466.545 5

Activity (Go SEA)

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