UCSF

ZINC22858889

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 26 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) 3.23 7.02 -3.55 0 4 0 25 352.478 5
Lo Low (pH 4.5-6) 3.23 8.59 -34.78 1 4 1 26 353.486 5

Activity (Go SEA)

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