UCSF

ZINC38555596

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 6.36 14.99 -47.14 0 3 -1 57 403.627 8
Lo Low (pH 4.5-6) 6.36 13.01 -5.91 1 3 0 54 404.635 8

Activity (Go SEA)

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