UCSF

ZINC39051005

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 9 No

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) 1.64 4.25 -4.85 0 1 0 13 139.585 1
Lo Low (pH 4.5-6) 1.64 4.73 -30.96 1 1 1 14 140.593 1

Activity (Go SEA)

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