UCSF

ZINC20901143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 2.87 5.57 -19.92 1 6 0 77 372.446 6
Hi High (pH 8-9.5) 2.87 4.59 -47.65 0 6 -1 79 371.438 6

Activity (Go SEA)

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