UCSF

ZINC22789609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 36 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) 5.33 9.42 -74.88 2 6 2 41 523.512 5
Hi High (pH 8-9.5) 5.33 9.01 -38.43 1 6 1 40 522.504 5
Mid Mid (pH 6-8) 5.33 11.79 -154.09 3 6 3 42 524.52 5
Mid Mid (pH 6-8) 5.33 11.39 -98.25 2 6 2 41 523.512 5

Activity (Go SEA)

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