UCSF

ZINC37825102

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.68 5.11 -172.19 5 5 3 57 259.418 5
Hi High (pH 8-9.5) -0.68 4.77 -90.73 4 5 2 55 258.41 5

Activity (Go SEA)

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