UCSF

ZINC22854020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 25 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) 3.77 8.84 -34.3 1 6 0 71 360.483 4
Lo Low (pH 4.5-6) 3.77 8.26 -46.9 2 6 1 68 361.491 4

Activity (Go SEA)

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