UCSF

ZINC16956186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 26 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) 3.67 7.68 -24.01 1 7 0 83 371.418 6
Hi High (pH 8-9.5) 3.19 6.77 -54.54 0 7 -1 89 370.41 6

Activity (Go SEA)

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