UCSF

ZINC06195088

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 30 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) 2.77 6.85 -17.39 2 7 0 90 423.494 5
Lo Low (pH 4.5-6) 2.77 7.09 -41.19 3 7 1 91 424.502 5

Activity (Go SEA)

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