UCSF

ZINC04922238

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 24 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) 4.26 10.76 -10.63 0 3 0 33 340.492 3
Lo Low (pH 4.5-6) 4.26 11.01 -32.79 1 3 1 34 341.5 3

Activity (Go SEA)

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