UCSF

ZINC08410951

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 25 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) 5.36 7.9 -9.32 1 5 0 64 352.415 2
Lo Low (pH 4.5-6) 4.87 8.5 -15.65 1 5 0 60 352.415 3

Activity (Go SEA)

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