UCSF

ZINC22455090

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 17 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) 1.92 6.23 -37.6 2 3 1 23 232.351 5
Hi High (pH 8-9.5) 1.92 3.71 -6.29 1 3 0 22 231.343 5

Activity (Go SEA)

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