UCSF

ZINC16740469

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 27 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) 4.29 10.73 -11.63 0 4 0 46 353.425 4
Lo Low (pH 4.5-6) 4.29 11.01 -45.73 1 4 1 47 354.433 4

Activity (Go SEA)

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