UCSF

ZINC14537113

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 29 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) 1.56 4.05 -16.82 3 9 0 115 404.467 9
Lo Low (pH 4.5-6) 1.56 4.32 -37.75 4 9 1 116 405.475 9

Activity (Go SEA)

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