UCSF

ZINC53244335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 25 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) 2.40 6.77 -15.16 2 5 0 61 349.45 8
Lo Low (pH 4.5-6) 2.40 7.42 -49.39 3 5 1 63 350.458 8

Activity (Go SEA)

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