UCSF

ZINC23038700

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 28 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 3.26 -61.49 5 8 1 123 470.369 8
Hi High (pH 8-9.5) 2.04 0.94 -23.55 4 8 0 122 469.361 8

Activity (Go SEA)

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