UCSF

ZINC28826117

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 37 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) 5.51 11.99 -10.8 2 6 0 92 514.544 6
Lo Low (pH 4.5-6) 6.15 10.62 -35.7 3 6 1 98 515.552 5

Activity (Go SEA)

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