UCSF

ZINC20264101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 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) 2.46 10.28 -83.8 1 8 0 96 442.512 11
Lo Low (pH 4.5-6) 2.46 9.32 -57.29 2 8 1 94 443.52 11

Activity (Go SEA)

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