UCSF

ZINC21514086

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 17 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) 5.12 7.85 -30.22 2 2 1 26 249.765 4
Hi High (pH 8-9.5) 5.12 7.45 -6.67 1 2 0 25 248.757 4

Activity (Go SEA)

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