UCSF

ZINC21516982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 4.50 8.33 -6.86 1 2 0 25 246.379 2
Lo Low (pH 4.5-6) 4.50 8.73 -26.26 2 2 1 26 247.387 2

Activity (Go SEA)

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