UCSF

ZINC40379769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 29 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) 1.74 7.33 -67.07 7 9 1 134 396.475 6
Lo Low (pH 4.5-6) 1.74 7.73 -116.39 8 9 2 135 397.483 6

Activity (Go SEA)

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