UCSF

ZINC21434254

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 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) 3.09 7.14 -47.42 3 6 1 66 401.918 7
Hi High (pH 8-9.5) 3.09 7.14 -50.5 3 6 1 66 401.918 7
Hi High (pH 8-9.5) 3.09 4.91 -17.6 2 6 0 65 400.91 7

Activity (Go SEA)

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