UCSF

ZINC22060252

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 4.23 13.13 -35.38 1 5 1 43 405.518 9
Hi High (pH 8-9.5) 4.23 10.83 -10.29 0 5 0 42 404.51 9

Activity (Go SEA)

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