UCSF

ZINC33122857

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 21 No

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) 0.52 5.84 -14.14 1 6 0 70 289.335 5
Lo Low (pH 4.5-6) 0.52 6.22 -45.45 2 6 1 71 290.343 5

Activity (Go SEA)

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