UCSF

ZINC14542582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 35 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) 2.92 7.91 -13.31 2 10 0 117 478.505 11
Lo Low (pH 4.5-6) 2.92 8.17 -39.38 3 10 1 118 479.513 11

Activity (Go SEA)

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