UCSF

ZINC49850127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 18 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) 4.94 8.62 -34.25 2 2 1 29 249.422 8
Hi High (pH 8-9.5) 4.94 7.36 -4.2 1 2 0 25 248.414 8

Activity (Go SEA)

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