UCSF

ZINC12536482

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 20 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) 2.35 5.92 -9.32 1 4 0 51 270.332 4
Lo Low (pH 4.5-6) 2.35 6.25 -41.63 2 4 1 52 271.34 4

Activity (Go SEA)

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