UCSF

ZINC14535232

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 30 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) 3.34 7.17 -10.86 2 9 0 108 414.462 10
Lo Low (pH 4.5-6) 3.34 7.45 -32.9 3 9 1 109 415.47 10

Activity (Go SEA)

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