UCSF

ZINC21817441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 4.84 8.74 -38.45 2 2 1 20 269.497 10
Lo Low (pH 4.5-6) 4.84 11.1 -103.83 3 2 2 21 270.505 10

Activity (Go SEA)

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