UCSF

ZINC37984823

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 3.26 4.5 -5.48 2 2 0 32 330.222 5
Lo Low (pH 4.5-6) 3.26 5.92 -45.54 3 2 1 37 331.23 5

Activity (Go SEA)

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