UCSF

ZINC35551153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) 3.47 3.53 -34.15 0 5 -1 74 426.497 3
Lo Low (pH 4.5-6) 3.65 4.02 -9.57 1 5 0 75 427.505 2

Activity (Go SEA)

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