UCSF

ZINC20264582

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) 3.37 10.45 -71.34 1 7 0 87 438.524 12
Lo Low (pH 4.5-6) 3.37 9.62 -45.8 2 7 1 84 439.532 12

Activity (Go SEA)

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