UCSF

ZINC14517713

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 21 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) 3.59 8.3 -10.1 1 3 0 42 276.339 2
Lo Low (pH 4.5-6) 3.65 7.46 -29.14 2 3 1 47 277.347 2

Activity (Go SEA)

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