UCSF

ZINC20195126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 1.73 -1.65 -37.92 5 4 1 77 226.296 5
Hi High (pH 8-9.5) 1.73 -0.86 -43.49 4 4 0 80 225.288 5

Activity (Go SEA)

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