UCSF

ZINC37166405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 0.97 2.36 -11.8 2 5 0 64 274.32 7
Lo Low (pH 4.5-6) 0.97 2.82 -44.02 3 5 1 65 275.328 7

Activity (Go SEA)

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