UCSF

ZINC16268866

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 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) 4.08 7.92 -10.78 1 3 0 42 268.36 2
Lo Low (pH 4.5-6) 4.08 8.19 -28.15 2 3 1 43 269.368 2

Activity (Go SEA)

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