UCSF

ZINC31855804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 26 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) 3.94 8.45 -52.5 1 5 -1 82 349.341 4
Lo Low (pH 4.5-6) 3.94 8.73 -51.3 2 5 0 83 350.349 4

Activity (Go SEA)

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