UCSF

ZINC20257729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.16 1.42 -30.77 2 6 0 94 250.32 4
Hi High (pH 8-9.5) -1.16 1.47 -42.52 1 6 -1 90 249.312 4
Hi High (pH 8-9.5) -1.16 2.14 -118.23 0 6 -2 92 248.304 4

Activity (Go SEA)

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