UCSF

ZINC33939357

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 28 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) 1.98 2.34 -22.82 2 8 0 116 419.484 4
Lo Low (pH 4.5-6) 1.98 3.31 -38.65 3 8 1 117 420.492 4

Activity (Go SEA)

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