UCSF

ZINC22054134

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 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) 1.12 12.9 -74.96 0 7 -1 100 429.452 4
Ref Reference (pH 7) 1.99 13.92 -120.77 0 7 0 98 429.452 5

Activity (Go SEA)

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