UCSF

ZINC21505476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 2.04 -0.12 -14.67 4 5 0 92 282.296 3
Hi High (pH 8-9.5) 2.04 0.33 -45.78 3 5 -1 95 281.288 3
Hi High (pH 8-9.5) 2.04 -0.04 -45.46 3 5 -1 94 281.288 3

Activity (Go SEA)

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