UCSF

ZINC20847339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 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) 6.89 13.87 -8.88 0 2 0 22 363.46 2
Lo Low (pH 4.5-6) 6.89 14.13 -26.41 1 2 1 23 364.468 2

Activity (Go SEA)

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